3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol

C10H20O2S — CID 79683415

IUPAC3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
SMILESCC1CCCC(SCC(O)CO)C1
InChIInChI=1S/C10H20O2S/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h8-12H,2-7H2,1H3
InChIKeyCUBQWSLTTANWFD-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.65
Rot. Bonds4

About 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol

3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol (PubChem CID 79683415) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
PubChem CID79683415
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
SMILESCC1CCCC(SCC(O)CO)C1
InChIInChI=1S/C10H20O2S/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h8-12H,2-7H2,1H3
InChIKeyCUBQWSLTTANWFD-UHFFFAOYSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide
CID 76948535
2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile
CID 62722458
1-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanyl-3-methylcyclohexane
CID 65016282
3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol
CID 79670463
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
1-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfanylethanol
CID 55111272
3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol
CID 79671709
methyl 2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanoate
CID 62722999
1-methyl-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 130891059
3-amino-3-cyclopropyl-2-(3-methylcyclohexyl)sulfanylpropan-1-ol
CID 114370454
3-(3-aminocyclohexyl)sulfanyl-2-methylpropan-1-ol
CID 66104136
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol (CID 79683415) is 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol is CC1CCCC(SCC(O)CO)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol?
The InChIKey is CUBQWSLTTANWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h8-12H,2-7H2,1H3.
What are the key properties of 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol?
3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol has a molecular weight of 204.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 79683415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).