2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide

C14H22N2OS — CID 65229574

IUPAC2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccccc1SCC
InChIInChI=1S/C14H22N2OS/c1-3-7-11(10-15)14(17)16-12-8-5-6-9-13(12)18-4-2/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17)
InChIKeyPAIXCTBRVALJQY-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.11
Rot. Bonds7

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

2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide (PubChem CID 65229574) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
PubChem CID65229574
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccccc1SCC
InChIInChI=1S/C14H22N2OS/c1-3-7-11(10-15)14(17)16-12-8-5-6-9-13(12)18-4-2/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17)
InChIKeyPAIXCTBRVALJQY-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
CID 107471470
2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
CID 65225963
2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
CID 65226220
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
CID 65225946
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
2-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]butanamide
CID 65225730
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide (CID 65229574) is 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide is CCCC(CN)C(=O)Nc1ccccc1SCC.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide?
The InChIKey is PAIXCTBRVALJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-7-11(10-15)14(17)16-12-8-5-6-9-13(12)18-4-2/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide?
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide has a molecular weight of 266.41 g/mol, XLogP of 3.11, 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-ethylsulfanylphenyl)pentanamide is sourced from PubChem (CID 65229574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).