N-(2,2-dimethylbutyl)methanesulfonamide

C7H17NO2S — CID 21304449

IUPACN-(2,2-dimethylbutyl)methanesulfonamide
SMILESCCC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-7(2,3)6-8-11(4,9)10/h8H,5-6H2,1-4H3
InChIKeyXGHLSMSADQPOAR-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds4

About N-(2,2-dimethylbutyl)methanesulfonamide

N-(2,2-dimethylbutyl)methanesulfonamide (PubChem CID 21304449) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)methanesulfonamide
PubChem CID21304449
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(2,2-dimethylbutyl)methanesulfonamide
SMILESCCC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-7(2,3)6-8-11(4,9)10/h8H,5-6H2,1-4H3
InChIKeyXGHLSMSADQPOAR-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(2,2-dimethylbutyl)methanesulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)methanesulfonamide (CID 21304449) is N-(2,2-dimethylbutyl)methanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)methanesulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)methanesulfonamide is CCC(C)(C)CNS(C)(=O)=O.
What is the InChIKey of N-(2,2-dimethylbutyl)methanesulfonamide?
The InChIKey is XGHLSMSADQPOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-7(2,3)6-8-11(4,9)10/h8H,5-6H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)methanesulfonamide?
N-(2,2-dimethylbutyl)methanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)methanesulfonamide is sourced from PubChem (CID 21304449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).