2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine

C16H25NS — CID 113250285

IUPAC2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
SMILESCSC1CCCC1NC(C)CCc1ccccc1
InChIInChI=1S/C16H25NS/c1-13(11-12-14-7-4-3-5-8-14)17-15-9-6-10-16(15)18-2/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyUUZBNWVRRAFZKW-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.88
Rot. Bonds6

About 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine

2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine (PubChem CID 113250285) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
PubChem CID113250285
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
SMILESCSC1CCCC1NC(C)CCc1ccccc1
InChIInChI=1S/C16H25NS/c1-13(11-12-14-7-4-3-5-8-14)17-15-9-6-10-16(15)18-2/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyUUZBNWVRRAFZKW-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine
CID 103786645
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile
CID 114121615
2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
CID 103902064
2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
CID 115893163
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine
CID 103948537
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
CID 43511639
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine (CID 113250285) is 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine is CSC1CCCC1NC(C)CCc1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine?
The InChIKey is UUZBNWVRRAFZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-13(11-12-14-7-4-3-5-8-14)17-15-9-6-10-16(15)18-2/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine?
2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 113250285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).