4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide

C13H20N2OS — CID 115734394

IUPAC4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H20N2OS/c1-13(2,17-3)9-15-12(16)11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyWWZYNXYXUJLDBS-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.02
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide

4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide (PubChem CID 115734394) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
PubChem CID115734394
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H20N2OS/c1-13(2,17-3)9-15-12(16)11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyWWZYNXYXUJLDBS-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
2-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430415
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113342883
3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115665361
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223
4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide
CID 82097324
5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
CID 115665099
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119316502
4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65107141
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride
CID 119316501

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide (CID 115734394) is 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide is CSC(C)(C)CNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The InChIKey is WWZYNXYXUJLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,17-3)9-15-12(16)11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 115734394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).