N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide

C9H21NO2S — CID 89148967

IUPACN-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide
SMILESCCC(CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-8(9(2,3)4)7-10-13(5,11)12/h8,10H,6-7H2,1-5H3
InChIKeyBOBSXOYNELVJFC-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.61
Rot. Bonds4

About N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide

N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide (PubChem CID 89148967) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide
PubChem CID89148967
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide
SMILESCCC(CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-8(9(2,3)4)7-10-13(5,11)12/h8,10H,6-7H2,1-5H3
InChIKeyBOBSXOYNELVJFC-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide?
The IUPAC name of N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide (CID 89148967) is N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide.
What is the SMILES notation for N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide?
The canonical SMILES for N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide is CCC(CNS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide?
The InChIKey is BOBSXOYNELVJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-6-8(9(2,3)4)7-10-13(5,11)12/h8,10H,6-7H2,1-5H3.
What are the key properties of N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide?
N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3,3-dimethylbutyl)methanesulfonamide is sourced from PubChem (CID 89148967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).