(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol

C14H31NO4SSi — CID 154680371

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H31NO4SSi/c1-12(19-21(5,6)14(2,3)4)13(11-16)15-7-9-20(17,18)10-8-15/h12-13,16H,7-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyCMWZDIYIILPEMG-CHWSQXEVSA-N
MW337.56 g/mol
LogP1.49
Rot. Bonds5

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol (PubChem CID 154680371) has the molecular formula C14H31NO4SSi and a molecular weight of 337.56 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
PubChem CID154680371
Molecular FormulaC14H31NO4SSi
Molecular Weight337.56 g/mol
Exact Mass337.17
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H31NO4SSi/c1-12(19-21(5,6)14(2,3)4)13(11-16)15-7-9-20(17,18)10-8-15/h12-13,16H,7-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyCMWZDIYIILPEMG-CHWSQXEVSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 154680481
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 104550741
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 107861678
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
CID 122371218
S-ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanethioate
CID 10850104
tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[(2S)-1,2-dihydroxypropyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 159263519
1-O-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butyl]amino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] 5-O-ethyl 3,3-dimethylpentanedioate
CID 168784667
(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one
CID 10425603
3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol
CID 169181755

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol (CID 154680371) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol?
The InChIKey is CMWZDIYIILPEMG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H31NO4SSi/c1-12(19-21(5,6)14(2,3)4)13(11-16)15-7-9-20(17,18)10-8-15/h12-13,16H,7-11H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol has a molecular weight of 337.56 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol is sourced from PubChem (CID 154680371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).