Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol

Name: Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₄O₃S — CID 96581730

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACtrans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol

SMILESCS(=O)(=O)[C@H]1CCC[C@H](O)C1

InChIInChI=1S/C7H14O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1

InChIKeyQXLWUYPXQYJLNB-BQBZGAKWSA-N

MW178.25 g/mol

LogP0.33

Rot. Bonds1

About Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol

Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol (PubChem CID 96581730) has the molecular formula C₇H₁₄O₃S and a molecular weight of 178.25 g/mol. Its IUPAC name is trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name	Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
PubChem CID	96581730
Molecular Formula	C₇H₁₄O₃S
Molecular Weight	178.25 g/mol
Exact Mass	178.07
IUPAC Name	trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
SMILES	CS(=O)(=O)[C@H]1CCC[C@H](O)C1
InChI	InChI=1S/C7H14O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKey	QXLWUYPXQYJLNB-BQBZGAKWSA-N
XLogP	0.33
TPSA	54.37 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.25
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol?

The IUPAC name of Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol (CID 96581730) is trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol.

What is the SMILES notation for Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol?

The canonical SMILES for Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol is CS(=O)(=O)[C@H]1CCC[C@H](O)C1.

What is the InChIKey of Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol?

The InChIKey is QXLWUYPXQYJLNB-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1.

What are the key properties of Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol?

Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 96581730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 96581730 — identifiers, structure, computed properties (public domain)

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