2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide

C15H24N2OS — CID 54868960

IUPAC2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccc(SC)cc1
InChIInChI=1S/C15H24N2OS/c1-5-10-15(2,16)14(18)17(3)11-12-6-8-13(19-4)9-7-12/h6-9H,5,10-11,16H2,1-4H3
InChIKeyXMMQLQBYDHPUEP-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.88
Rot. Bonds6

About 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide

2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide (PubChem CID 54868960) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
PubChem CID54868960
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccc(SC)cc1
InChIInChI=1S/C15H24N2OS/c1-5-10-15(2,16)14(18)17(3)11-12-6-8-13(19-4)9-7-12/h6-9H,5,10-11,16H2,1-4H3
InChIKeyXMMQLQBYDHPUEP-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
CID 119681995
2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62734863
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60936685
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
2-amino-N,2-dimethyl-N-[(4-propylphenyl)methyl]propanamide
CID 115152710
3-amino-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea
CID 115192806
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
CID 119760310
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide (CID 54868960) is 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide is CCCC(C)(N)C(=O)N(C)Cc1ccc(SC)cc1.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide?
The InChIKey is XMMQLQBYDHPUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-10-15(2,16)14(18)17(3)11-12-6-8-13(19-4)9-7-12/h6-9H,5,10-11,16H2,1-4H3.
What are the key properties of 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide?
2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide has a molecular weight of 280.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide is sourced from PubChem (CID 54868960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).