N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide

C11H25NO2S — CID 18681650

IUPACN-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide
SMILESCC(C)(C)C(C)(C)C(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-9(2,3)10(4,5)11(6,7)12-15(8,13)14/h12H,1-8H3
InChIKeyZWPUWORQSMAZER-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.39
Rot. Bonds3

About N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide

N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide (PubChem CID 18681650) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide
PubChem CID18681650
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide
SMILESCC(C)(C)C(C)(C)C(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-9(2,3)10(4,5)11(6,7)12-15(8,13)14/h12H,1-8H3
InChIKeyZWPUWORQSMAZER-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide?
The IUPAC name of N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide (CID 18681650) is N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide is CC(C)(C)C(C)(C)C(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide?
The InChIKey is ZWPUWORQSMAZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-9(2,3)10(4,5)11(6,7)12-15(8,13)14/h12H,1-8H3.
What are the key properties of N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide?
N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide is sourced from PubChem (CID 18681650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).