N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide

C11H25NO2S — CID 58989969

IUPACN-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide
SMILESCC(C)(C)C(CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2,3)9(11(4,5)6)8-12-15(7,13)14/h9,12H,8H2,1-7H3
InChIKeyXEUIELZCTASPOR-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.24
Rot. Bonds3

About N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide

N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide (PubChem CID 58989969) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide
PubChem CID58989969
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide
SMILESCC(C)(C)C(CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2,3)9(11(4,5)6)8-12-15(7,13)14/h9,12H,8H2,1-7H3
InChIKeyXEUIELZCTASPOR-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide?
The IUPAC name of N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide (CID 58989969) is N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide.
What is the SMILES notation for N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide?
The canonical SMILES for N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide is CC(C)(C)C(CNS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide?
The InChIKey is XEUIELZCTASPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-10(2,3)9(11(4,5)6)8-12-15(7,13)14/h9,12H,8H2,1-7H3.
What are the key properties of N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide?
N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3,3-dimethylbutyl)methanesulfonamide is sourced from PubChem (CID 58989969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).