2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide

C8H17NO3S — CID 88900113

IUPAC2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide
SMILESCC[C@H](C)S(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C8H17NO3S/c1-5-6(2)13(11,12)8(3,4)7(9)10/h6H,5H2,1-4H3,(H2,9,10)/t6-/m0/s1
InChIKeyRNEXXJZWTNJLEJ-LURJTMIESA-N
MW207.29 g/mol
LogP0.46
Rot. Bonds4

About 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide

2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide (PubChem CID 88900113) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide
PubChem CID88900113
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide
SMILESCC[C@H](C)S(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C8H17NO3S/c1-5-6(2)13(11,12)8(3,4)7(9)10/h6H,5H2,1-4H3,(H2,9,10)/t6-/m0/s1
InChIKeyRNEXXJZWTNJLEJ-LURJTMIESA-N
XLogP0.46
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide 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

Propionamide, 2-butylthio-2-methyl-
CID 3048538
2-Hexylsulfonylacetamide
CID 479433
3-Decylsulfonylpropanamide
CID 479444
Butyramide, 2-ethyl-2-(ethylsulfonyl)-
CID 48201
Butyramide, 2-ethyl-2-(propylsulfonyl)-
CID 48206
2-Heptylsulfonylacetamide
CID 479434
2-Decylsulfonylpropanamide
CID 479439
2-(Butylsulfonyl)-2-methylpropionamide
CID 3031099
2-(Ethylsulfonyl)-2-methylpropionamide
CID 3031124
2-Methyl-2-(propylsulfonyl)propionamide
CID 3031135
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 87112831
2-Methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
CID 154343422

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide?
The IUPAC name of 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide (CID 88900113) is 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide.
What is the SMILES notation for 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide?
The canonical SMILES for 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide is CC[C@H](C)S(=O)(=O)C(C)(C)C(N)=O.
What is the InChIKey of 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide?
The InChIKey is RNEXXJZWTNJLEJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO3S/c1-5-6(2)13(11,12)8(3,4)7(9)10/h6H,5H2,1-4H3,(H2,9,10)/t6-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide?
2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide has a molecular weight of 207.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide is sourced from PubChem (CID 88900113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).