3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine

C18H23NS — CID 103702398

IUPAC3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23NS/c1-2-20-18-10-9-17(12-18)19-13-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,17-19H,2,9-10,12-13H2,1H3
InChIKeyPNHXMTKQYGFGPP-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.60
Rot. Bonds5

About 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine

3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine (PubChem CID 103702398) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
PubChem CID103702398
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23NS/c1-2-20-18-10-9-17(12-18)19-13-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,17-19H,2,9-10,12-13H2,1H3
InChIKeyPNHXMTKQYGFGPP-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
N-(naphthalen-2-ylmethyl)cyclopropanamine;hydrochloride
CID 67542592
5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
CID 103702283
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
N-[(4-chloro-3-fluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113243621
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
N-[(4-chloro-3-nitrophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702417
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
3-ethylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926221
N-[(4-naphthalen-2-ylphenyl)methyl]cyclopropanamine
CID 63424074
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 114122903
2-(cyclopropylsulfanylmethyl)naphthalene
CID 142244232

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine (CID 103702398) is 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine is CCSC1CCC(NCc2ccc3ccccc3c2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is PNHXMTKQYGFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-2-20-18-10-9-17(12-18)19-13-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,17-19H,2,9-10,12-13H2,1H3.
What are the key properties of 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine?
3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 103702398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).