3-(cyclopentylmethylsulfanyl)propan-1-amine

C9H19NS — CID 58684003

IUPAC3-(cyclopentylmethylsulfanyl)propan-1-amine
SMILESNCCCSCC1CCCC1
InChIInChI=1S/C9H19NS/c10-6-3-7-11-8-9-4-1-2-5-9/h9H,1-8,10H2
InChIKeyLNPDIICYFCXOOJ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.26
Rot. Bonds5

About 3-(cyclopentylmethylsulfanyl)propan-1-amine

3-(cyclopentylmethylsulfanyl)propan-1-amine (PubChem CID 58684003) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfanyl)propan-1-amine
PubChem CID58684003
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-(cyclopentylmethylsulfanyl)propan-1-amine
SMILESNCCCSCC1CCCC1
InChIInChI=1S/C9H19NS/c10-6-3-7-11-8-9-4-1-2-5-9/h9H,1-8,10H2
InChIKeyLNPDIICYFCXOOJ-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfanyl)propan-1-amine?
The IUPAC name of 3-(cyclopentylmethylsulfanyl)propan-1-amine (CID 58684003) is 3-(cyclopentylmethylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(cyclopentylmethylsulfanyl)propan-1-amine is NCCCSCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylsulfanyl)propan-1-amine?
The InChIKey is LNPDIICYFCXOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c10-6-3-7-11-8-9-4-1-2-5-9/h9H,1-8,10H2.
What are the key properties of 3-(cyclopentylmethylsulfanyl)propan-1-amine?
3-(cyclopentylmethylsulfanyl)propan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfanyl)propan-1-amine is sourced from PubChem (CID 58684003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).