N-(3-methylbutan-2-yl)methanesulfonamide

C6H15NO2S — CID 59687732

IUPACN-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(C)NS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5(2)6(3)7-10(4,8)9/h5-7H,1-4H3
InChIKeyVLHOZPNDLXMSEH-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.58
Rot. Bonds3

About N-(3-methylbutan-2-yl)methanesulfonamide

N-(3-methylbutan-2-yl)methanesulfonamide (PubChem CID 59687732) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)methanesulfonamide
PubChem CID59687732
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(C)NS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5(2)6(3)7-10(4,8)9/h5-7H,1-4H3
InChIKeyVLHOZPNDLXMSEH-UHFFFAOYSA-N
XLogP0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-methylbutan-2-yl)methanesulfonamide (CID 59687732) is N-(3-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-methylbutan-2-yl)methanesulfonamide is CC(C)C(C)NS(C)(=O)=O.
What is the InChIKey of N-(3-methylbutan-2-yl)methanesulfonamide?
The InChIKey is VLHOZPNDLXMSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5(2)6(3)7-10(4,8)9/h5-7H,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)methanesulfonamide?
N-(3-methylbutan-2-yl)methanesulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 59687732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).