2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide

C15H22N2OS — CID 66354315

IUPAC2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1cccc(CN)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H22N2OS/c1-11(15(18)17-13-6-2-3-7-13)19-14-8-4-5-12(9-14)10-16/h4-5,8-9,11,13H,2-3,6-7,10,16H2,1H3,(H,17,18)
InChIKeyUMSMYHWJSMAAEJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.68
Rot. Bonds5

About 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide

2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide (PubChem CID 66354315) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
PubChem CID66354315
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1cccc(CN)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H22N2OS/c1-11(15(18)17-13-6-2-3-7-13)19-14-8-4-5-12(9-14)10-16/h4-5,8-9,11,13H,2-3,6-7,10,16H2,1H3,(H,17,18)
InChIKeyUMSMYHWJSMAAEJ-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66349004
N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
CID 64665320
2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 66356220
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806696
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide (CID 66354315) is 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide is CC(Sc1cccc(CN)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide?
The InChIKey is UMSMYHWJSMAAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(15(18)17-13-6-2-3-7-13)19-14-8-4-5-12(9-14)10-16/h4-5,8-9,11,13H,2-3,6-7,10,16H2,1H3,(H,17,18).
What are the key properties of 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide?
2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 66354315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).