(S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide

C22H46N2O3S2Si2 — CID 67269896

IUPAC(S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46N2O3S2Si2/c1-20(2,3)29(25)24-18(19-23-14-15-28-19)17(27-31(12,13)22(7,8)9)16-26-30(10,11)21(4,5)6/h14-15,17-18,24H,16H2,1-13H3/t17-,18-,29+/m1/s1
InChIKeyMHMFVIKBGCLOKL-WJXXOHKWSA-N
MW506.93 g/mol
LogP6.65
Rot. Bonds9

About (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 67269896) has the molecular formula C22H46N2O3S2Si2 and a molecular weight of 506.93 g/mol. Its IUPAC name is (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID67269896
Molecular FormulaC22H46N2O3S2Si2
Molecular Weight506.93 g/mol
Exact Mass506.25
IUPAC Name(S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46N2O3S2Si2/c1-20(2,3)29(25)24-18(19-23-14-15-28-19)17(27-31(12,13)22(7,8)9)16-26-30(10,11)21(4,5)6/h14-15,17-18,24H,16H2,1-13H3/t17-,18-,29+/m1/s1
InChIKeyMHMFVIKBGCLOKL-WJXXOHKWSA-N
XLogP6.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.93
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide (CID 67269896) is (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is MHMFVIKBGCLOKL-WJXXOHKWSA-N. The full InChI is InChI=1S/C22H46N2O3S2Si2/c1-20(2,3)29(25)24-18(19-23-14-15-28-19)17(27-31(12,13)22(7,8)9)16-26-30(10,11)21(4,5)6/h14-15,17-18,24H,16H2,1-13H3/t17-,18-,29+/m1/s1.
What are the key properties of (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 506.93 g/mol, XLogP of 6.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67269896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).