(1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane

C8H20O3S3 — CID 160569820

IUPAC(1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane
SMILESCS(=O)(=O)C[C@@H](O)C1CCCC1.S.S
InChIInChI=1S/C8H16O3S.2H2S/c1-12(10,11)6-8(9)7-4-2-3-5-7;;/h7-9H,2-6H2,1H3;2*1H2/t8-;;/m1../s1
InChIKeyRAJZTGQIFMTGFI-YCBDHFTFSA-N
MW260.45 g/mol
LogP0.81
Rot. Bonds3

About (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane

(1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane (PubChem CID 160569820) has the molecular formula C8H20O3S3 and a molecular weight of 260.45 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane
PubChem CID160569820
Molecular FormulaC8H20O3S3
Molecular Weight260.45 g/mol
Exact Mass260.06
IUPAC Name(1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane
SMILESCS(=O)(=O)C[C@@H](O)C1CCCC1.S.S
InChIInChI=1S/C8H16O3S.2H2S/c1-12(10,11)6-8(9)7-4-2-3-5-7;;/h7-9H,2-6H2,1H3;2*1H2/t8-;;/m1../s1
InChIKeyRAJZTGQIFMTGFI-YCBDHFTFSA-N
XLogP0.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane with MolForge

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

Launch Full Analysis

Related Compounds

4-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-ol
CID 105464112
4-(1,1-Dioxothian-4-yl)-3-fluorobutan-2-ol
CID 105482104
1-(3,3-Difluorocyclopentyl)-4-ethylsulfonylbutan-1-ol
CID 114215860
1-Cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
CID 20044168
6-Methyl-1-(3-methylbutylsulfonyl)heptan-3-ol
CID 53719418
4-Cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
CID 57081542
2-(Methylsulfonylmethyl)cyclopentan-1-ol
CID 68359714
6-Methyl-5-(propan-2-ylsulfonylmethyl)heptan-3-ol
CID 88131617
1-[5-(2-Methylpentyl)-1,1-dioxothiolan-2-yl]ethanol
CID 101161285
2-(1-Hydroxyethyl)-4-methylhexane-1-sulfinate
CID 122627625
(1S,2S)-1-cyclobutyl-2-methylsulfonylpropan-1-ol
CID 124085328
(1S,2R)-1-cyclobutyl-2-methylsulfonylpropan-1-ol
CID 124085332

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane?
The IUPAC name of (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane (CID 160569820) is (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane.
What is the SMILES notation for (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane?
The canonical SMILES for (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane is CS(=O)(=O)C[C@@H](O)C1CCCC1.S.S.
What is the InChIKey of (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane?
The InChIKey is RAJZTGQIFMTGFI-YCBDHFTFSA-N. The full InChI is InChI=1S/C8H16O3S.2H2S/c1-12(10,11)6-8(9)7-4-2-3-5-7;;/h7-9H,2-6H2,1H3;2*1H2/t8-;;/m1../s1.
What are the key properties of (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane?
(1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane has a molecular weight of 260.45 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane is sourced from PubChem (CID 160569820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).