2-methylsulfonylpentanamide

C6H13NO3S — CID 87057703

IUPAC2-methylsulfonylpentanamide
SMILESCCCC(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-3-4-5(6(7)8)11(2,9)10/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyNBBOIJSLZMCMQF-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.31
Rot. Bonds4

About 2-methylsulfonylpentanamide

2-methylsulfonylpentanamide (PubChem CID 87057703) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-methylsulfonylpentanamide.

Molecular Properties

Compound Name2-methylsulfonylpentanamide
PubChem CID87057703
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-methylsulfonylpentanamide
SMILESCCCC(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-3-4-5(6(7)8)11(2,9)10/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyNBBOIJSLZMCMQF-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methylsulfonylbutanamide
CID 57014350
1-amino-1-iminopentane-2-sulfonic acid
CID 141155185
4-amino-2-methylsulfonylbutanoic acid
CID 64693404
2-methylsulfonylbutanoic acid
CID 18360997
ethane;2-ethylpentanamide
CID 178117178
2-ethylpentanamide;hydrochloride
CID 121334657
2,3-dimethylhexanamide
CID 55291364
2-(1-amino-1-oxobutan-2-yl)sulfonylacetic acid
CID 62899487
2-hydroxy-3-methylhexanamide
CID 62226604
ethyl (2S)-2-methylsulfonylpropanoate
CID 93493008
2-propylhexanamide
CID 19818979
2-prop-2-enylsulfonylundecanamide
CID 174284735

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpentanamide?
The IUPAC name of 2-methylsulfonylpentanamide (CID 87057703) is 2-methylsulfonylpentanamide.
What is the SMILES notation for 2-methylsulfonylpentanamide?
The canonical SMILES for 2-methylsulfonylpentanamide is CCCC(C(N)=O)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylpentanamide?
The InChIKey is NBBOIJSLZMCMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-3-4-5(6(7)8)11(2,9)10/h5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 2-methylsulfonylpentanamide?
2-methylsulfonylpentanamide has a molecular weight of 179.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpentanamide is sourced from PubChem (CID 87057703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).