N-(2-methylpropyl)methanesulfonamide

C5H13NO2S — CID 4547916

IUPACN-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3
InChIKeyXBGDRQUFMJRVAL-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.19
Rot. Bonds3

About N-(2-methylpropyl)methanesulfonamide

N-(2-methylpropyl)methanesulfonamide (PubChem CID 4547916) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)methanesulfonamide
PubChem CID4547916
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3
InChIKeyXBGDRQUFMJRVAL-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-(2-methylpropyl)methanesulfonamide (CID 4547916) is N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)methanesulfonamide is CC(C)CNS(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)methanesulfonamide?
The InChIKey is XBGDRQUFMJRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3.
What are the key properties of N-(2-methylpropyl)methanesulfonamide?
N-(2-methylpropyl)methanesulfonamide has a molecular weight of 151.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 4547916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).