N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide

C17H26N2OS — CID 119567373

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NC2(CN)CCCC2)cc1C
InChIInChI=1S/C17H26N2OS/c1-13-5-6-15(11-14(13)2)21-10-7-16(20)19-17(12-18)8-3-4-9-17/h5-6,11H,3-4,7-10,12,18H2,1-2H3,(H,19,20)
InChIKeyUCYUPFYQHQSTPC-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.17
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide

N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 119567373) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID119567373
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NC2(CN)CCCC2)cc1C
InChIInChI=1S/C17H26N2OS/c1-13-5-6-15(11-14(13)2)21-10-7-16(20)19-17(12-18)8-3-4-9-17/h5-6,11H,3-4,7-10,12,18H2,1-2H3,(H,19,20)
InChIKeyUCYUPFYQHQSTPC-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide (CID 119567373) is N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NC2(CN)CCCC2)cc1C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is UCYUPFYQHQSTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13-5-6-15(11-14(13)2)21-10-7-16(20)19-17(12-18)8-3-4-9-17/h5-6,11H,3-4,7-10,12,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 306.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 119567373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).