2-methyl-4-methylsulfonylbutanamide

C6H13NO3S — CID 91318731

IUPAC2-methyl-4-methylsulfonylbutanamide
SMILESCC(CCS(C)(=O)=O)C(N)=O
InChIInChI=1S/C6H13NO3S/c1-5(6(7)8)3-4-11(2,9)10/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyAYOROAFBDFUMBR-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.46
Rot. Bonds4

About 2-methyl-4-methylsulfonylbutanamide

2-methyl-4-methylsulfonylbutanamide (PubChem CID 91318731) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-methyl-4-methylsulfonylbutanamide
PubChem CID91318731
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-methyl-4-methylsulfonylbutanamide
SMILESCC(CCS(C)(=O)=O)C(N)=O
InChIInChI=1S/C6H13NO3S/c1-5(6(7)8)3-4-11(2,9)10/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyAYOROAFBDFUMBR-UHFFFAOYSA-N
XLogP-0.46
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butyramide, 2-ethyl-2-(ethylsulfonyl)-
CID 48201
Butyramide, 2-ethyl-2-(propylsulfonyl)-
CID 48206
3-Ethenylsulfonylbutanamide
CID 4136678
2-Methyl-2-(propylsulfonyl)propionamide
CID 3031135
N-(1-fluoroethylsulfonyl)-3-methylbutanamide
CID 170366756
2-Methyl-3-methylsulfinylbutanamide
CID 13952296
2-Butylsulfonylpropanamide
CID 17938947
N-ethylsulfonyl-3-methylbutanamide
CID 18430545
2-Methylsulfonylpropanamide
CID 18914682
3-Methylsulfonylpropanamide
CID 20270749
N-hydroxy-2-methyl-3-methylsulfonylbutanamide
CID 20684752
1,1-Dioxothiolane-3-carboxamide
CID 21505770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-methyl-4-methylsulfonylbutanamide (CID 91318731) is 2-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-methyl-4-methylsulfonylbutanamide is CC(CCS(C)(=O)=O)C(N)=O.
What is the InChIKey of 2-methyl-4-methylsulfonylbutanamide?
The InChIKey is AYOROAFBDFUMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-5(6(7)8)3-4-11(2,9)10/h5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 2-methyl-4-methylsulfonylbutanamide?
2-methyl-4-methylsulfonylbutanamide has a molecular weight of 179.24 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-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 91318731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).