5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide

C8H14N2O2S — CID 129171297

IUPAC5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide
SMILESCNCC1=CC(S(N)(=O)=O)=CCC1
InChIInChI=1S/C8H14N2O2S/c1-10-6-7-3-2-4-8(5-7)13(9,11)12/h4-5,10H,2-3,6H2,1H3,(H2,9,11,12)
InChIKeyNSDOXVDWPXIESG-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.10
Rot. Bonds3

About 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide

5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 129171297) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide
PubChem CID129171297
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide
SMILESCNCC1=CC(S(N)(=O)=O)=CCC1
InChIInChI=1S/C8H14N2O2S/c1-10-6-7-3-2-4-8(5-7)13(9,11)12/h4-5,10H,2-3,6H2,1H3,(H2,9,11,12)
InChIKeyNSDOXVDWPXIESG-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 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide (CID 129171297) is 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide is CNCC1=CC(S(N)(=O)=O)=CCC1.
What is the InChIKey of 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is NSDOXVDWPXIESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10-6-7-3-2-4-8(5-7)13(9,11)12/h4-5,10H,2-3,6H2,1H3,(H2,9,11,12).
What are the key properties of 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide?
5-(methylaminomethyl)cyclohexa-1,5-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 5-(methylaminomethyl)cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 129171297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).