2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide

C11H24N2O3S — CID 115751030

IUPAC2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide
SMILESCCCC(C)(C)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-5-7-11(2,3)13-10(14)9(12)6-8-17(4,15)16/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyYEPIDRJAGFKGIM-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.44
Rot. Bonds7

About 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide

2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide (PubChem CID 115751030) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide
PubChem CID115751030
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide
SMILESCCCC(C)(C)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-5-7-11(2,3)13-10(14)9(12)6-8-17(4,15)16/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyYEPIDRJAGFKGIM-UHFFFAOYSA-N
XLogP0.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
CID 113288250
2-amino-N-(2,4-dimethylpentan-2-yl)pentanamide
CID 135224025
2-amino-N-(5,5-dimethylhexyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957267
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
2-[(2-amino-4-methylsulfonylbutanoyl)amino]pentanoic acid
CID 61161610
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide
CID 54950405
(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide
CID 118626867

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide (CID 115751030) is 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide is CCCC(C)(C)NC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide?
The InChIKey is YEPIDRJAGFKGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-5-7-11(2,3)13-10(14)9(12)6-8-17(4,15)16/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide?
2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide has a molecular weight of 264.39 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 115751030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).