5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide

C9H16N2O2S — CID 129171306

IUPAC5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCNS(=O)(=O)C1=CCCC(CN)=C1
InChIInChI=1S/C9H16N2O2S/c1-2-11-14(12,13)9-5-3-4-8(6-9)7-10/h5-6,11H,2-4,7,10H2,1H3
InChIKeyWYPJXQQCYAWGQE-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.49
Rot. Bonds4

About 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide

5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 129171306) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID129171306
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCNS(=O)(=O)C1=CCCC(CN)=C1
InChIInChI=1S/C9H16N2O2S/c1-2-11-14(12,13)9-5-3-4-8(6-9)7-10/h5-6,11H,2-4,7,10H2,1H3
InChIKeyWYPJXQQCYAWGQE-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide (CID 129171306) is 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide is CCNS(=O)(=O)C1=CCCC(CN)=C1.
What is the InChIKey of 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is WYPJXQQCYAWGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-2-11-14(12,13)9-5-3-4-8(6-9)7-10/h5-6,11H,2-4,7,10H2,1H3.
What are the key properties of 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide?
5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 216.31 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 129171306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).