3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol

C10H21NOS — CID 64900047

IUPAC3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol
SMILESCC(N)C(CO)SCC1CCCC1
InChIInChI=1S/C10H21NOS/c1-8(11)10(6-12)13-7-9-4-2-3-5-9/h8-10,12H,2-7,11H2,1H3
InChIKeyCJHSOHKUINXPMY-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.62
Rot. Bonds5

About 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol

3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol (PubChem CID 64900047) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol
PubChem CID64900047
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol
SMILESCC(N)C(CO)SCC1CCCC1
InChIInChI=1S/C10H21NOS/c1-8(11)10(6-12)13-7-9-4-2-3-5-9/h8-10,12H,2-7,11H2,1H3
InChIKeyCJHSOHKUINXPMY-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(cyclopentylmethylsulfanyl)butan-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-(cyclopentylmethylsulfanyl)butan-1-ol?
The IUPAC name of 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol (CID 64900047) is 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol?
The canonical SMILES for 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol is CC(N)C(CO)SCC1CCCC1.
What is the InChIKey of 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol?
The InChIKey is CJHSOHKUINXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(11)10(6-12)13-7-9-4-2-3-5-9/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol?
3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclopentylmethylsulfanyl)butan-1-ol is sourced from PubChem (CID 64900047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).