4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide

C14H22N2OS — CID 115157586

IUPAC4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
SMILESCSc1ccc(CNC(=O)CCC(C)(C)N)cc1
InChIInChI=1S/C14H22N2OS/c1-14(2,15)9-8-13(17)16-10-11-4-6-12(18-3)7-5-11/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyTXOCGPHJORSSOA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.54
Rot. Bonds6

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

4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide (PubChem CID 115157586) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
PubChem CID115157586
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
SMILESCSc1ccc(CNC(=O)CCC(C)(C)N)cc1
InChIInChI=1S/C14H22N2OS/c1-14(2,15)9-8-13(17)16-10-11-4-6-12(18-3)7-5-11/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyTXOCGPHJORSSOA-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
CID 115166260
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
N-benzyl-4,4-dimethylpentanamide
CID 59836653
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 47124680
3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115180561
1-(5-hydroxy-4,4-dimethylpentyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 111505269
4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide
CID 115157607
1-ethyl-3-[(4-methylsulfanylphenyl)methyl]thiourea
CID 47512467
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide?
The IUPAC name of 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide (CID 115157586) is 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide is CSc1ccc(CNC(=O)CCC(C)(C)N)cc1.
What is the InChIKey of 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide?
The InChIKey is TXOCGPHJORSSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,15)9-8-13(17)16-10-11-4-6-12(18-3)7-5-11/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide?
4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide has a molecular weight of 266.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide is sourced from PubChem (CID 115157586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).