4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide

C13H20N2O2S — CID 134446947

IUPAC4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide
SMILESC=C1CC(S(=O)(=O)NC2CCNCC2)=CC=C1C
InChIInChI=1S/C13H20N2O2S/c1-10-3-4-13(9-11(10)2)18(16,17)15-12-5-7-14-8-6-12/h3-4,12,14-15H,2,5-9H2,1H3
InChIKeyHIQYFBHLLRVVTG-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.45
Rot. Bonds3

About 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide

4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 134446947) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID134446947
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide
SMILESC=C1CC(S(=O)(=O)NC2CCNCC2)=CC=C1C
InChIInChI=1S/C13H20N2O2S/c1-10-3-4-13(9-11(10)2)18(16,17)15-12-5-7-14-8-6-12/h3-4,12,14-15H,2,5-9H2,1H3
InChIKeyHIQYFBHLLRVVTG-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide (CID 134446947) is 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide is C=C1CC(S(=O)(=O)NC2CCNCC2)=CC=C1C.
What is the InChIKey of 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is HIQYFBHLLRVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-3-4-13(9-11(10)2)18(16,17)15-12-5-7-14-8-6-12/h3-4,12,14-15H,2,5-9H2,1H3.
What are the key properties of 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide?
4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 134446947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).