2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide

C17H26N2OS — CID 65225963

IUPAC2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H26N2OS/c1-2-7-13(12-18)17(20)19-15-10-5-6-11-16(15)21-14-8-3-4-9-14/h5-6,10-11,13-14H,2-4,7-9,12,18H2,1H3,(H,19,20)
InChIKeyAKAYIDFGNVHDPS-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.03
Rot. Bonds7

About 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide

2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide (PubChem CID 65225963) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
PubChem CID65225963
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H26N2OS/c1-2-7-13(12-18)17(20)19-15-10-5-6-11-16(15)21-14-8-3-4-9-14/h5-6,10-11,13-14H,2-4,7-9,12,18H2,1H3,(H,19,20)
InChIKeyAKAYIDFGNVHDPS-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
CID 65229574
5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide
CID 104683759
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
CID 43696805
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
CID 81083432
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
N-(2-cyclopentylsulfanylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62832690
2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
CID 65226220
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
CID 65225946
methyl 2-(2-cyclopentylsulfanylanilino)butanoate
CID 115352915

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide (CID 65225963) is 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide is CCCC(CN)C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide?
The InChIKey is AKAYIDFGNVHDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-7-13(12-18)17(20)19-15-10-5-6-11-16(15)21-14-8-3-4-9-14/h5-6,10-11,13-14H,2-4,7-9,12,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide?
2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide has a molecular weight of 306.47 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide is sourced from PubChem (CID 65225963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).