3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide

C8H14N2O2S — CID 71132753

IUPAC3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC(CN)=CCC1
InChIInChI=1S/C8H14N2O2S/c1-10-13(11,12)8-4-2-3-7(5-8)6-9/h3,5,10H,2,4,6,9H2,1H3
InChIKeyJVQGHVVYXHJLIV-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.10
Rot. Bonds3

About 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide

3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 71132753) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID71132753
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC(CN)=CCC1
InChIInChI=1S/C8H14N2O2S/c1-10-13(11,12)8-4-2-3-7(5-8)6-9/h3,5,10H,2,4,6,9H2,1H3
InChIKeyJVQGHVVYXHJLIV-UHFFFAOYSA-N
XLogP0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide (CID 71132753) is 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide is CNS(=O)(=O)C1=CC(CN)=CCC1.
What is the InChIKey of 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is JVQGHVVYXHJLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10-13(11,12)8-4-2-3-7(5-8)6-9/h3,5,10H,2,4,6,9H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide?
3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 71132753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).