2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide

C13H20N2OS — CID 60848568

IUPAC2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C13H20N2OS/c1-4-9-13(2,14)12(16)15-10-5-7-11(17-3)8-6-10/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyUYVHRTOKBHNMKR-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.86
Rot. Bonds5

About 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide

2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide (PubChem CID 60848568) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
PubChem CID60848568
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C13H20N2OS/c1-4-9-13(2,14)12(16)15-10-5-7-11(17-3)8-6-10/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyUYVHRTOKBHNMKR-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide
CID 62488562

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide (CID 60848568) is 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide is CCCC(C)(N)C(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide?
The InChIKey is UYVHRTOKBHNMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-9-13(2,14)12(16)15-10-5-7-11(17-3)8-6-10/h5-8H,4,9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide?
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide has a molecular weight of 252.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide is sourced from PubChem (CID 60848568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).