2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide

C13H20N2OS — CID 115151844

IUPAC2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide
SMILESCSc1ccc(C(C)(C)CNC(=O)CN)cc1
InChIInChI=1S/C13H20N2OS/c1-13(2,9-15-12(16)8-14)10-4-6-11(17-3)7-5-10/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyBDLJKVNICZLXEW-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide

2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide (PubChem CID 115151844) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide
PubChem CID115151844
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide
SMILESCSc1ccc(C(C)(C)CNC(=O)CN)cc1
InChIInChI=1S/C13H20N2OS/c1-13(2,9-15-12(16)8-14)10-4-6-11(17-3)7-5-10/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyBDLJKVNICZLXEW-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-2-(4-methylsulfanylphenyl)propyl]carbamothioic S-acid
CID 115170564
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
N-(chloromethyl)-2-methyl-2-(4-methylsulfanylphenyl)propan-1-amine
CID 115263682
2-amino-N-[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115151864
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
CID 119319554
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115734389
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
2-amino-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]acetamide
CID 115151835
[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
CID 115171438

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide?
The IUPAC name of 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide (CID 115151844) is 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide?
The canonical SMILES for 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide is CSc1ccc(C(C)(C)CNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide?
The InChIKey is BDLJKVNICZLXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,9-15-12(16)8-14)10-4-6-11(17-3)7-5-10/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide?
2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide has a molecular weight of 252.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide is sourced from PubChem (CID 115151844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).