(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol

C14H18O3S — CID 10038565

IUPAC(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
SMILESC[C@H]1CCC[C@H](O)C=C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O3S/c1-11-6-5-7-12(15)10-14(11)18(16,17)13-8-3-2-4-9-13/h2-4,8-12,15H,5-7H2,1H3/t11-,12-/m0/s1
InChIKeyCVPYGFMUZUUVKI-RYUDHWBXSA-N
MW266.36 g/mol
LogP2.53
Rot. Bonds2

About (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol

(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol (PubChem CID 10038565) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
PubChem CID10038565
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
SMILESC[C@H]1CCC[C@H](O)C=C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O3S/c1-11-6-5-7-12(15)10-14(11)18(16,17)13-8-3-2-4-9-13/h2-4,8-12,15H,5-7H2,1H3/t11-,12-/m0/s1
InChIKeyCVPYGFMUZUUVKI-RYUDHWBXSA-N
XLogP2.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol 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 (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol?
The IUPAC name of (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol (CID 10038565) is (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol.
What is the SMILES notation for (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol?
The canonical SMILES for (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol is C[C@H]1CCC[C@H](O)C=C1S(=O)(=O)c1ccccc1.
What is the InChIKey of (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol?
The InChIKey is CVPYGFMUZUUVKI-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18O3S/c1-11-6-5-7-12(15)10-14(11)18(16,17)13-8-3-2-4-9-13/h2-4,8-12,15H,5-7H2,1H3/t11-,12-/m0/s1.
What are the key properties of (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol?
(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol is sourced from PubChem (CID 10038565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).