2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide

C16H26N2OS — CID 107471470

IUPAC2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
SMILESCCSc1ccccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H26N2OS/c1-5-20-14-9-7-6-8-13(14)18-15(19)12(11-17)10-16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyKUKIXPRMQBZPKX-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.75
Rot. Bonds6

About 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide (PubChem CID 107471470) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
PubChem CID107471470
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
SMILESCCSc1ccccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H26N2OS/c1-5-20-14-9-7-6-8-13(14)18-15(19)12(11-17)10-16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyKUKIXPRMQBZPKX-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
CID 65229574
2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide
CID 107471273
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936
2-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]butanamide
CID 65225730
2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
CID 143326178
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
CID 107472030
2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
CID 107471228
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide (CID 107471470) is 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide is CCSc1ccccc1NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide?
The InChIKey is KUKIXPRMQBZPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-20-14-9-7-6-8-13(14)18-15(19)12(11-17)10-16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide has a molecular weight of 294.46 g/mol, XLogP of 3.75, 6 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)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).