N-butan-2-ylmethanesulfonamide

C5H13NO2S — CID 4075930

IUPACN-butan-2-ylmethanesulfonamide
SMILESCCC(C)NS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-4-5(2)6-9(3,7)8/h5-6H,4H2,1-3H3
InChIKeyMOPHSBUFMIZNRY-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.33
Rot. Bonds3

About N-butan-2-ylmethanesulfonamide

N-butan-2-ylmethanesulfonamide (PubChem CID 4075930) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-butan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-butan-2-ylmethanesulfonamide
PubChem CID4075930
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-butan-2-ylmethanesulfonamide
SMILESCCC(C)NS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-4-5(2)6-9(3,7)8/h5-6H,4H2,1-3H3
InChIKeyMOPHSBUFMIZNRY-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylmethanesulfonamide?
The IUPAC name of N-butan-2-ylmethanesulfonamide (CID 4075930) is N-butan-2-ylmethanesulfonamide.
What is the SMILES notation for N-butan-2-ylmethanesulfonamide?
The canonical SMILES for N-butan-2-ylmethanesulfonamide is CCC(C)NS(C)(=O)=O.
What is the InChIKey of N-butan-2-ylmethanesulfonamide?
The InChIKey is MOPHSBUFMIZNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-4-5(2)6-9(3,7)8/h5-6H,4H2,1-3H3.
What are the key properties of N-butan-2-ylmethanesulfonamide?
N-butan-2-ylmethanesulfonamide has a molecular weight of 151.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylmethanesulfonamide is sourced from PubChem (CID 4075930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).