3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol

C12H25NOS — CID 115723242

IUPAC3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol
SMILESCCC1CCCC1NC(CCO)CSC
InChIInChI=1S/C12H25NOS/c1-3-10-5-4-6-12(10)13-11(7-8-14)9-15-2/h10-14H,3-9H2,1-2H3
InChIKeyPMMLQRDWWNLPOT-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.27
Rot. Bonds7

About 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol

3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol (PubChem CID 115723242) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol
PubChem CID115723242
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol
SMILESCCC1CCCC1NC(CCO)CSC
InChIInChI=1S/C12H25NOS/c1-3-10-5-4-6-12(10)13-11(7-8-14)9-15-2/h10-14H,3-9H2,1-2H3
InChIKeyPMMLQRDWWNLPOT-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-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-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol (CID 115723242) is 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol is CCC1CCCC1NC(CCO)CSC.
What is the InChIKey of 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol?
The InChIKey is PMMLQRDWWNLPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-10-5-4-6-12(10)13-11(7-8-14)9-15-2/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol?
3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylcyclopentyl)amino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 115723242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).