(2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride

C121H134Cl3N5O24S6Si3 — CID 157474558

IUPAC(2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride
SMILESCC(C)(C)[Si](OCC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C(=O)N1CCCCC1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C(=O)O)(c1ccccc1)c1ccccc1.O=C(Cl)c1ccc(S(=O)(=O)c2ccccc2)cc1.O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1.O=S(Cl)Cl.O=S1(=O)CCNCC1
InChIInChI=1S/C38H44N2O5SSi.C33H35NO6SSi.C20H27NO3Si.C13H9ClO3S.C13H10O4S.C4H9NO2S.Cl2OS/c1-38(2,3)47(33-18-10-5-11-19-33,34-20-12-6-13-21-34)45-29-26-35(37(42)40-27-14-7-15-28-40)39-36(41)30-22-24-32(25-23-30)46(43,44)31-16-8-4-9-17-31;1-33(2,3)42(28-15-9-5-10-16-28,29-17-11-6-12-18-29)40-24-23-30(32(36)37)34-31(35)25-19-21-27(22-20-25)41(38,39)26-13-7-4-8-14-26;1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-14-18(21)19(22)23;2*14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11;6-8(7)3-1-5-2-4-8;1-4(2)3/h4-6,8-13,16-25,35H,7,14-15,26-29H2,1-3H3,(H,39,41);4-22,30H,23-24H2,1-3H3,(H,34,35)(H,36,37);4-13,18H,14-15,21H2,1-3H3,(H,22,23);1-9H;1-9H,(H,14,15);5H,1-4H2;/t35-;30-;18-;;;;/m000..../s1
InChIKeyBVKYRSZZSPFGAF-VEYYDSMISA-N
MW2425.43 g/mol
LogP17.79
Rot. Bonds35

About (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride

(2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride (PubChem CID 157474558) has the molecular formula C121H134Cl3N5O24S6Si3 and a molecular weight of 2425.43 g/mol. Its IUPAC name is (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride.

Molecular Properties

Compound Name(2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride
PubChem CID157474558
Molecular FormulaC121H134Cl3N5O24S6Si3
Molecular Weight2425.43 g/mol
Exact Mass2421.61
IUPAC Name(2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride
SMILESCC(C)(C)[Si](OCC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C(=O)N1CCCCC1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C(=O)O)(c1ccccc1)c1ccccc1.O=C(Cl)c1ccc(S(=O)(=O)c2ccccc2)cc1.O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1.O=S(Cl)Cl.O=S1(=O)CCNCC1
InChIInChI=1S/C38H44N2O5SSi.C33H35NO6SSi.C20H27NO3Si.C13H9ClO3S.C13H10O4S.C4H9NO2S.Cl2OS/c1-38(2,3)47(33-18-10-5-11-19-33,34-20-12-6-13-21-34)45-29-26-35(37(42)40-27-14-7-15-28-40)39-36(41)30-22-24-32(25-23-30)46(43,44)31-16-8-4-9-17-31;1-33(2,3)42(28-15-9-5-10-16-28,29-17-11-6-12-18-29)40-24-23-30(32(36)37)34-31(35)25-19-21-27(22-20-25)41(38,39)26-13-7-4-8-14-26;1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-14-18(21)19(22)23;2*14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11;6-8(7)3-1-5-2-4-8;1-4(2)3/h4-6,8-13,16-25,35H,7,14-15,26-29H2,1-3H3,(H,39,41);4-22,30H,23-24H2,1-3H3,(H,34,35)(H,36,37);4-13,18H,14-15,21H2,1-3H3,(H,22,23);1-9H;1-9H,(H,14,15);5H,1-4H2;/t35-;30-;18-;;;;/m000..../s1
InChIKeyBVKYRSZZSPFGAF-VEYYDSMISA-N
XLogP17.79
TPSA460.99 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002425.43
LogP ≤ 517.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride?
The IUPAC name of (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride (CID 157474558) is (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride.
What is the SMILES notation for (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride?
The canonical SMILES for (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride is CC(C)(C)[Si](OCC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C(=O)N1CCCCC1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C(=O)O)(c1ccccc1)c1ccccc1.O=C(Cl)c1ccc(S(=O)(=O)c2ccccc2)cc1.O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1.O=S(Cl)Cl.O=S1(=O)CCNCC1.
What is the InChIKey of (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride?
The InChIKey is BVKYRSZZSPFGAF-VEYYDSMISA-N. The full InChI is InChI=1S/C38H44N2O5SSi.C33H35NO6SSi.C20H27NO3Si.C13H9ClO3S.C13H10O4S.C4H9NO2S.Cl2OS/c1-38(2,3)47(33-18-10-5-11-19-33,34-20-12-6-13-21-34)45-29-26-35(37(42)40-27-14-7-15-28-40)39-36(41)30-22-24-32(25-23-30)46(43,44)31-16-8-4-9-17-31;1-33(2,3)42(28-15-9-5-10-16-28,29-17-11-6-12-18-29)40-24-23-30(32(36)37)34-31(35)25-19-21-27(22-20-25)41(38,39)26-13-7-4-8-14-26;1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-14-18(21)19(22)23;2*14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11;6-8(7)3-1-5-2-4-8;1-4(2)3/h4-6,8-13,16-25,35H,7,14-15,26-29H2,1-3H3,(H,39,41);4-22,30H,23-24H2,1-3H3,(H,34,35)(H,36,37);4-13,18H,14-15,21H2,1-3H3,(H,22,23);1-9H;1-9H,(H,14,15);5H,1-4H2;/t35-;30-;18-;;;;/m000..../s1.
What are the key properties of (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride?
(2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride has a molecular weight of 2425.43 g/mol, XLogP of 17.79, 35 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoic acid;(2S)-2-[[4-(benzenesulfonyl)benzoyl]amino]-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid;4-(benzenesulfonyl)benzoyl chloride;4-(benzenesulfonyl)-N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide;1,4-thiazinane 1,1-dioxide;thionyl dichloride is sourced from PubChem (CID 157474558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).