2-(cyclopentylmethylsulfanyl)ethanamine

C8H17NS — CID 58684085

IUPAC2-(cyclopentylmethylsulfanyl)ethanamine
SMILESNCCSCC1CCCC1
InChIInChI=1S/C8H17NS/c9-5-6-10-7-8-3-1-2-4-8/h8H,1-7,9H2
InChIKeyKIAGBFWTAWUGNP-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds4

About 2-(cyclopentylmethylsulfanyl)ethanamine

2-(cyclopentylmethylsulfanyl)ethanamine (PubChem CID 58684085) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)ethanamine
PubChem CID58684085
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(cyclopentylmethylsulfanyl)ethanamine
SMILESNCCSCC1CCCC1
InChIInChI=1S/C8H17NS/c9-5-6-10-7-8-3-1-2-4-8/h8H,1-7,9H2
InChIKeyKIAGBFWTAWUGNP-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
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 2-(cyclopentylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)ethanamine (CID 58684085) is 2-(cyclopentylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)ethanamine is NCCSCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)ethanamine?
The InChIKey is KIAGBFWTAWUGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c9-5-6-10-7-8-3-1-2-4-8/h8H,1-7,9H2.
What are the key properties of 2-(cyclopentylmethylsulfanyl)ethanamine?
2-(cyclopentylmethylsulfanyl)ethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)ethanamine is sourced from PubChem (CID 58684085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).