3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol

C11H23NOS — CID 64899185

IUPAC3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol
SMILESCC1CCCC(SC(CO)C(C)N)C1
InChIInChI=1S/C11H23NOS/c1-8-4-3-5-10(6-8)14-11(7-13)9(2)12/h8-11,13H,3-7,12H2,1-2H3
InChIKeyCPMGKTXUOPRQLJ-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol

3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol (PubChem CID 64899185) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol
PubChem CID64899185
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol
SMILESCC1CCCC(SC(CO)C(C)N)C1
InChIInChI=1S/C11H23NOS/c1-8-4-3-5-10(6-8)14-11(7-13)9(2)12/h8-11,13H,3-7,12H2,1-2H3
InChIKeyCPMGKTXUOPRQLJ-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-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 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol?
The IUPAC name of 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol (CID 64899185) is 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol?
The canonical SMILES for 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol is CC1CCCC(SC(CO)C(C)N)C1.
What is the InChIKey of 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol?
The InChIKey is CPMGKTXUOPRQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-8-4-3-5-10(6-8)14-11(7-13)9(2)12/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol?
3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methylcyclohexyl)sulfanylbutan-1-ol is sourced from PubChem (CID 64899185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).