2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide

C15H24N2O2S — CID 119790095

IUPAC2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CS(C)=O)c1C
InChIInChI=1S/C15H24N2O2S/c1-5-9-15(3,16)14(18)17-13-8-6-7-12(11(13)2)10-20(4)19/h6-8H,5,9-10,16H2,1-4H3,(H,17,18)
InChIKeySEXHYXUDIAKBDJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.33
Rot. Bonds6

About 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide

2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide (PubChem CID 119790095) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide
PubChem CID119790095
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CS(C)=O)c1C
InChIInChI=1S/C15H24N2O2S/c1-5-9-15(3,16)14(18)17-13-8-6-7-12(11(13)2)10-20(4)19/h6-8H,5,9-10,16H2,1-4H3,(H,17,18)
InChIKeySEXHYXUDIAKBDJ-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide
CID 95770743
2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119790140
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide
CID 95770774
2-amino-2-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 60849102
2-[(2-amino-2-methylpentanoyl)amino]-6-fluorobenzoic acid
CID 61158491
5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide
CID 119032734
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide
CID 119762109
2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
CID 95629146
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide (CID 119790095) is 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide is CCCC(C)(N)C(=O)Nc1cccc(CS(C)=O)c1C.
What is the InChIKey of 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide?
The InChIKey is SEXHYXUDIAKBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-9-15(3,16)14(18)17-13-8-6-7-12(11(13)2)10-20(4)19/h6-8H,5,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide?
2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide has a molecular weight of 296.44 g/mol, XLogP of 2.33, 6 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-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide is sourced from PubChem (CID 119790095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).