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

C8H19NO2S — CID 1280652

IUPACN-(2,4-dimethylpentan-3-yl)methanesulfonamide
SMILESCC(C)C(NS(C)(=O)=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-6(2)8(7(3)4)9-12(5,10)11/h6-9H,1-5H3
InChIKeyNASJJNYMVXVADO-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.22
Rot. Bonds4

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

N-(2,4-dimethylpentan-3-yl)methanesulfonamide (PubChem CID 1280652) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)methanesulfonamide
PubChem CID1280652
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(2,4-dimethylpentan-3-yl)methanesulfonamide
SMILESCC(C)C(NS(C)(=O)=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-6(2)8(7(3)4)9-12(5,10)11/h6-9H,1-5H3
InChIKeyNASJJNYMVXVADO-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)methanesulfonamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)methanesulfonamide (CID 1280652) is N-(2,4-dimethylpentan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)methanesulfonamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)methanesulfonamide is CC(C)C(NS(C)(=O)=O)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)methanesulfonamide?
The InChIKey is NASJJNYMVXVADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-6(2)8(7(3)4)9-12(5,10)11/h6-9H,1-5H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)methanesulfonamide?
N-(2,4-dimethylpentan-3-yl)methanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)methanesulfonamide is sourced from PubChem (CID 1280652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).