N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide

C11H21NO4S — CID 64637702

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide
SMILESCC(=O)C(NC(=O)CS(=O)(=O)C(C)C)C(C)C
InChIInChI=1S/C11H21NO4S/c1-7(2)11(9(5)13)12-10(14)6-17(15,16)8(3)4/h7-8,11H,6H2,1-5H3,(H,12,14)
InChIKeyASNITEHYPDZKAT-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.54
Rot. Bonds6

About N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide

N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide (PubChem CID 64637702) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide
PubChem CID64637702
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide
SMILESCC(=O)C(NC(=O)CS(=O)(=O)C(C)C)C(C)C
InChIInChI=1S/C11H21NO4S/c1-7(2)11(9(5)13)12-10(14)6-17(15,16)8(3)4/h7-8,11H,6H2,1-5H3,(H,12,14)
InChIKeyASNITEHYPDZKAT-UHFFFAOYSA-N
XLogP0.54
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
N-cyclopropyl-2-propan-2-ylsulfonylacetamide
CID 87023654
(2S)-4-methyl-2-[(2-propan-2-ylsulfonylacetyl)amino]pentanoic acid
CID 119361403
N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylsulfonylethylsulfanyl)acetamide
CID 63659407
N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
CID 158440925
(2R)-2-methyl-3-[(2-methyl-4-oxopentan-3-yl)amino]-3-oxopropane-1-sulfonic acid
CID 163496429
N-(dimethylsulfamoyl)-2-propan-2-ylsulfonylacetamide
CID 137433624
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62014229
(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506
2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82951079
2-(3-methylbutylsulfanyl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 107752798
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide (CID 64637702) is N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide is CC(=O)C(NC(=O)CS(=O)(=O)C(C)C)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide?
The InChIKey is ASNITEHYPDZKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-7(2)11(9(5)13)12-10(14)6-17(15,16)8(3)4/h7-8,11H,6H2,1-5H3,(H,12,14).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide has a molecular weight of 263.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 64637702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).