3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol

C10H21NOS — CID 79576201

IUPAC3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol
SMILESNC1CCCC1CCSCCCO
InChIInChI=1S/C10H21NOS/c11-10-4-1-3-9(10)5-8-13-7-2-6-12/h9-10,12H,1-8,11H2
InChIKeyGREKURWTAXUSRQ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.62
Rot. Bonds6

About 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol

3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol (PubChem CID 79576201) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol
PubChem CID79576201
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol
SMILESNC1CCCC1CCSCCCO
InChIInChI=1S/C10H21NOS/c11-10-4-1-3-9(10)5-8-13-7-2-6-12/h9-10,12H,1-8,11H2
InChIKeyGREKURWTAXUSRQ-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-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

Related Compounds

2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine
CID 79577369
3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol
CID 79578178
3-(2-aminocycloheptyl)sulfanylpropan-1-ol
CID 66127718
3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol
CID 66126809
3-(cyclobutylmethylsulfanyl)propan-1-ol
CID 66127430
2-(2-cyclohexylsulfanylethyl)cyclopentan-1-amine
CID 79576536
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79582927
2-(2-cyclopropylethyl)cyclopentan-1-amine
CID 138461758
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576244
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573302
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol (CID 79576201) is 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol is NC1CCCC1CCSCCCO.
What is the InChIKey of 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol?
The InChIKey is GREKURWTAXUSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c11-10-4-1-3-9(10)5-8-13-7-2-6-12/h9-10,12H,1-8,11H2.
What are the key properties of 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol?
3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminocyclopentyl)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 79576201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).