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

C13H27NS — CID 115907891

IUPAC3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
SMILESCCCC(C)CNC1CCC(SCC)C1
InChIInChI=1S/C13H27NS/c1-4-6-11(3)10-14-12-7-8-13(9-12)15-5-2/h11-14H,4-10H2,1-3H3
InChIKeyBQANKMWYKLNCCQ-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds7

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

3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine (PubChem CID 115907891) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
PubChem CID115907891
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
SMILESCCCC(C)CNC1CCC(SCC)C1
InChIInChI=1S/C13H27NS/c1-4-6-11(3)10-14-12-7-8-13(9-12)15-5-2/h11-14H,4-10H2,1-3H3
InChIKeyBQANKMWYKLNCCQ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pentan-2-yl)-1,3-thiazolidine
CID 218555
2-Methyl-2-(3-methylbutyl)-1,3-thiazolidine
CID 3058780
N-(2-fluoroethyl)-3-methylsulfanylcyclopentan-1-amine
CID 105876884
N-(3-fluoropropyl)-3-methylsulfanylcyclopentan-1-amine
CID 105876995
3-ethylsulfanyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 105877762
3-ethylsulfanyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 105877856
cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine
CID 130690110
2-Isopentylthiazolidine
CID 91747992
2-Methyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 18954517
2,5-Dimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 19987788
2,4,5-Trimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 19987789
2,4-Dimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 19987795

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine (CID 115907891) is 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine is CCCC(C)CNC1CCC(SCC)C1.
What is the InChIKey of 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine?
The InChIKey is BQANKMWYKLNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-4-6-11(3)10-14-12-7-8-13(9-12)15-5-2/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine?
3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine is sourced from PubChem (CID 115907891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).