N-(3,3-dimethylbutyl)methanesulfonamide

C7H17NO2S — CID 20774379

IUPACN-(3,3-dimethylbutyl)methanesulfonamide
SMILESCC(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-7(2,3)5-6-8-11(4,9)10/h8H,5-6H2,1-4H3
InChIKeyKNPPHIIRVYPNBA-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds3

About N-(3,3-dimethylbutyl)methanesulfonamide

N-(3,3-dimethylbutyl)methanesulfonamide (PubChem CID 20774379) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)methanesulfonamide
PubChem CID20774379
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(3,3-dimethylbutyl)methanesulfonamide
SMILESCC(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-7(2,3)5-6-8-11(4,9)10/h8H,5-6H2,1-4H3
InChIKeyKNPPHIIRVYPNBA-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)methanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)methanesulfonamide (CID 20774379) is N-(3,3-dimethylbutyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)methanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)methanesulfonamide is CC(C)(C)CCNS(C)(=O)=O.
What is the InChIKey of N-(3,3-dimethylbutyl)methanesulfonamide?
The InChIKey is KNPPHIIRVYPNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2,3)5-6-8-11(4,9)10/h8H,5-6H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)methanesulfonamide?
N-(3,3-dimethylbutyl)methanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)methanesulfonamide is sourced from PubChem (CID 20774379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).