N-(2-methylpentan-3-yl)ethanesulfonamide

C8H19NO2S — CID 61481397

IUPACN-(2-methylpentan-3-yl)ethanesulfonamide
SMILESCCC(NS(=O)(=O)CC)C(C)C
InChIInChI=1S/C8H19NO2S/c1-5-8(7(3)4)9-12(10,11)6-2/h7-9H,5-6H2,1-4H3
InChIKeyWKSQGCXHWWCRKH-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds5

About N-(2-methylpentan-3-yl)ethanesulfonamide

N-(2-methylpentan-3-yl)ethanesulfonamide (PubChem CID 61481397) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)ethanesulfonamide
PubChem CID61481397
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(2-methylpentan-3-yl)ethanesulfonamide
SMILESCCC(NS(=O)(=O)CC)C(C)C
InChIInChI=1S/C8H19NO2S/c1-5-8(7(3)4)9-12(10,11)6-2/h7-9H,5-6H2,1-4H3
InChIKeyWKSQGCXHWWCRKH-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)ethanesulfonamide?
The IUPAC name of N-(2-methylpentan-3-yl)ethanesulfonamide (CID 61481397) is N-(2-methylpentan-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-methylpentan-3-yl)ethanesulfonamide?
The canonical SMILES for N-(2-methylpentan-3-yl)ethanesulfonamide is CCC(NS(=O)(=O)CC)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)ethanesulfonamide?
The InChIKey is WKSQGCXHWWCRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-8(7(3)4)9-12(10,11)6-2/h7-9H,5-6H2,1-4H3.
What are the key properties of N-(2-methylpentan-3-yl)ethanesulfonamide?
N-(2-methylpentan-3-yl)ethanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)ethanesulfonamide is sourced from PubChem (CID 61481397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).