N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide

C9H15NO2S — CID 70223695

IUPACN-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide
SMILESCCC1=CCCC(NS(C)(=O)=O)=C1
InChIInChI=1S/C9H15NO2S/c1-3-8-5-4-6-9(7-8)10-13(2,11)12/h5,7,10H,3-4,6H2,1-2H3
InChIKeyGHTRWEJUEMBOOD-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.55
Rot. Bonds3

About N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide

N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide (PubChem CID 70223695) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide
PubChem CID70223695
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide
SMILESCCC1=CCCC(NS(C)(=O)=O)=C1
InChIInChI=1S/C9H15NO2S/c1-3-8-5-4-6-9(7-8)10-13(2,11)12/h5,7,10H,3-4,6H2,1-2H3
InChIKeyGHTRWEJUEMBOOD-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide?
The IUPAC name of N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide (CID 70223695) is N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide.
What is the SMILES notation for N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide?
The canonical SMILES for N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide is CCC1=CCCC(NS(C)(=O)=O)=C1.
What is the InChIKey of N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide?
The InChIKey is GHTRWEJUEMBOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-3-8-5-4-6-9(7-8)10-13(2,11)12/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide?
N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide is sourced from PubChem (CID 70223695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).