N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide

C7H15NO3S — CID 122663020

IUPACN-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide
SMILESCC(=O)[C@@H](C)NS(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO3S/c1-5(2)12(10,11)8-6(3)7(4)9/h5-6,8H,1-4H3/t6-/m1/s1
InChIKeyNIQXTUUIFROMGM-ZCFIWIBFSA-N
MW193.27 g/mol
LogP0.29
Rot. Bonds4

About N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide

N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide (PubChem CID 122663020) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide
PubChem CID122663020
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide
SMILESCC(=O)[C@@H](C)NS(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO3S/c1-5(2)12(10,11)8-6(3)7(4)9/h5-6,8H,1-4H3/t6-/m1/s1
InChIKeyNIQXTUUIFROMGM-ZCFIWIBFSA-N
XLogP0.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-oxo-3-(propan-2-ylsulfonylamino)pentanamide
CID 122663018
N-propan-2-ylsulfonylacetamide
CID 18730103
methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
CID 114463731
3-(cyclopropylsulfamoylamino)butan-2-one
CID 114808600
N-[(2R)-3-methylbutan-2-yl]propane-2-sulfonamide
CID 153298586
N-(1-hydroxypropan-2-yl)propane-2-sulfonamide
CID 58551854
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
4-oxo-2-(propan-2-ylsulfonylamino)pentanamide
CID 122663039
methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate
CID 63821804
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
bis(3-methylbutan-2-one);bis(2-methylsulfonylpropane)
CID 158863389
methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide (CID 122663020) is N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide is CC(=O)[C@@H](C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide?
The InChIKey is NIQXTUUIFROMGM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5(2)12(10,11)8-6(3)7(4)9/h5-6,8H,1-4H3/t6-/m1/s1.
What are the key properties of N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide?
N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide has a molecular weight of 193.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 122663020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).