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

C15H24N2O3S — CID 119757053

IUPAC2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-4-8-15(2,16)14(18)17-10-12-6-5-7-13(9-12)11-21(3,19)20/h5-7,9H,4,8,10-11,16H2,1-3H3,(H,17,18)
InChIKeyJJBMQZWJWUEZHR-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.36
Rot. Bonds7

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

2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide (PubChem CID 119757053) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
PubChem CID119757053
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-4-8-15(2,16)14(18)17-10-12-6-5-7-13(9-12)11-21(3,19)20/h5-7,9H,4,8,10-11,16H2,1-3H3,(H,17,18)
InChIKeyJJBMQZWJWUEZHR-UHFFFAOYSA-N
XLogP1.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119775504
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride
CID 119731398
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
CID 119784272
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61259411
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide (CID 119757053) is 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide is CCCC(C)(N)C(=O)NCc1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide?
The InChIKey is JJBMQZWJWUEZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-8-15(2,16)14(18)17-10-12-6-5-7-13(9-12)11-21(3,19)20/h5-7,9H,4,8,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide?
2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide has a molecular weight of 312.43 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 119757053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).