(3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide

C14H18ClNO4S2 — CID 164629369

IUPAC(3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC[C@H](CS(=O)(=O)N2CCc3cc(Cl)ccc32)C1
InChIInChI=1S/C14H18ClNO4S2/c15-13-3-4-14-12(8-13)5-6-16(14)22(19,20)10-11-2-1-7-21(17,18)9-11/h3-4,8,11H,1-2,5-7,9-10H2/t11-/m0/s1
InChIKeyOPIADYIKDNTGQO-NSHDSACASA-N
MW363.89 g/mol
LogP1.86
Rot. Bonds3

About (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide

(3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide (PubChem CID 164629369) has the molecular formula C14H18ClNO4S2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide
PubChem CID164629369
Molecular FormulaC14H18ClNO4S2
Molecular Weight363.89 g/mol
Exact Mass363.04
IUPAC Name(3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC[C@H](CS(=O)(=O)N2CCc3cc(Cl)ccc32)C1
InChIInChI=1S/C14H18ClNO4S2/c15-13-3-4-14-12(8-13)5-6-16(14)22(19,20)10-11-2-1-7-21(17,18)9-11/h3-4,8,11H,1-2,5-7,9-10H2/t11-/m0/s1
InChIKeyOPIADYIKDNTGQO-NSHDSACASA-N
XLogP1.86
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide?
The IUPAC name of (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide (CID 164629369) is (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide.
What is the SMILES notation for (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide?
The canonical SMILES for (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide is O=S1(=O)CCC[C@H](CS(=O)(=O)N2CCc3cc(Cl)ccc32)C1.
What is the InChIKey of (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide?
The InChIKey is OPIADYIKDNTGQO-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClNO4S2/c15-13-3-4-14-12(8-13)5-6-16(14)22(19,20)10-11-2-1-7-21(17,18)9-11/h3-4,8,11H,1-2,5-7,9-10H2/t11-/m0/s1.
What are the key properties of (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide?
(3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide has a molecular weight of 363.89 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonylmethyl]thiane 1,1-dioxide is sourced from PubChem (CID 164629369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).