1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol

C9H19NOS — CID 64812152

IUPAC1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol
SMILESCC(O)(CN)CSC1CCCC1
InChIInChI=1S/C9H19NOS/c1-9(11,6-10)7-12-8-4-2-3-5-8/h8,11H,2-7,10H2,1H3
InChIKeyVAZVBTUCQAWWDA-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.37
Rot. Bonds4

About 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol

1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol (PubChem CID 64812152) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol
PubChem CID64812152
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol
SMILESCC(O)(CN)CSC1CCCC1
InChIInChI=1S/C9H19NOS/c1-9(11,6-10)7-12-8-4-2-3-5-8/h8,11H,2-7,10H2,1H3
InChIKeyVAZVBTUCQAWWDA-UHFFFAOYSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-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 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol (CID 64812152) is 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol is CC(O)(CN)CSC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol?
The InChIKey is VAZVBTUCQAWWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(11,6-10)7-12-8-4-2-3-5-8/h8,11H,2-7,10H2,1H3.
What are the key properties of 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol?
1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol has a molecular weight of 189.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 64812152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).