N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide

C9H15NO2S — CID 144514724

IUPACN-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCN(C)S(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C9H15NO2S/c1-3-10(2)13(11,12)9-7-5-4-6-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyFLBIQNSCDOVTIV-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.50
Rot. Bonds3

About N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide

N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 144514724) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID144514724
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCN(C)S(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C9H15NO2S/c1-3-10(2)13(11,12)9-7-5-4-6-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyFLBIQNSCDOVTIV-UHFFFAOYSA-N
XLogP1.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide (CID 144514724) is N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide is CCN(C)S(=O)(=O)C1=CCCC=C1.
What is the InChIKey of N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is FLBIQNSCDOVTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-3-10(2)13(11,12)9-7-5-4-6-8-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide?
N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 144514724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).