(3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide

C20H23NO2S — CID 15247386

IUPAC(3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide
SMILESO=S1(=O)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C20H23NO2S/c22-24(23)20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2/t19-,20+/m1/s1
InChIKeyKTVOVGSKZUWNBK-UXHICEINSA-N
MW341.48 g/mol
LogP4.45
Rot. Bonds3

About (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide

(3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide (PubChem CID 15247386) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide
PubChem CID15247386
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide
SMILESO=S1(=O)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C20H23NO2S/c22-24(23)20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2/t19-,20+/m1/s1
InChIKeyKTVOVGSKZUWNBK-UXHICEINSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide?
The IUPAC name of (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide (CID 15247386) is (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide.
What is the SMILES notation for (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide?
The canonical SMILES for (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide is O=S1(=O)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C1CCCCC1.
What is the InChIKey of (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide?
The InChIKey is KTVOVGSKZUWNBK-UXHICEINSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-24(23)20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2/t19-,20+/m1/s1.
What are the key properties of (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide?
(3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide has a molecular weight of 341.48 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-cyclohexyl-3,4-diphenylthiazetidine 1,1-dioxide is sourced from PubChem (CID 15247386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).