3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine

C11H23NS2 — CID 102672441

IUPAC3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
SMILESCCSCCNC1CCC(SCC)C1
InChIInChI=1S/C11H23NS2/c1-3-13-8-7-12-10-5-6-11(9-10)14-4-2/h10-12H,3-9H2,1-2H3
InChIKeyQODAVQWHGWTLIF-UHFFFAOYSA-N
MW233.45 g/mol
LogP3.00
Rot. Bonds7

About 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine

3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine (PubChem CID 102672441) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
PubChem CID102672441
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Name3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
SMILESCCSCCNC1CCC(SCC)C1
InChIInChI=1S/C11H23NS2/c1-3-13-8-7-12-10-5-6-11(9-10)14-4-2/h10-12H,3-9H2,1-2H3
InChIKeyQODAVQWHGWTLIF-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine 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

N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
CID 115907891
cis-(1S,3R)-3-ethylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]cyclopentan-1-amine
CID 124677579
3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol
CID 79671709
3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 115876683
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115910663
3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine
CID 104871846
3-[3-(ethylamino)cyclopentyl]sulfanylpropan-1-ol
CID 66128791
3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732676
2-[(3-ethylsulfanylcyclopentyl)amino]-1-phenylethanol
CID 114123586

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine (CID 102672441) is 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine is CCSCCNC1CCC(SCC)C1.
What is the InChIKey of 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine?
The InChIKey is QODAVQWHGWTLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2/c1-3-13-8-7-12-10-5-6-11(9-10)14-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine?
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine has a molecular weight of 233.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine is sourced from PubChem (CID 102672441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).