N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide

C11H25NO2S — CID 88991661

IUPACN-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide
SMILESCCN(CCC(C)(C)C(C)C)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-7-12(15(6,13)14)9-8-11(4,5)10(2)3/h10H,7-9H2,1-6H3
InChIKeyJXYBSSJUGLCJIH-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.34
Rot. Bonds6

About N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide

N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide (PubChem CID 88991661) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide
PubChem CID88991661
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide
SMILESCCN(CCC(C)(C)C(C)C)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-7-12(15(6,13)14)9-8-11(4,5)10(2)3/h10H,7-9H2,1-6H3
InChIKeyJXYBSSJUGLCJIH-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide (CID 88991661) is N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide is CCN(CCC(C)(C)C(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide?
The InChIKey is JXYBSSJUGLCJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-7-12(15(6,13)14)9-8-11(4,5)10(2)3/h10H,7-9H2,1-6H3.
What are the key properties of N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide?
N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,3,4-trimethylpentyl)methanesulfonamide is sourced from PubChem (CID 88991661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).