2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide

C11H20N2O2S — CID 91481326

IUPAC2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide
SMILESC=C(C)C(=CC)S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C11H20N2O2S/c1-4-11(9(2)3)16(14,15)13-10-5-7-12-8-6-10/h4,10,12-13H,2,5-8H2,1,3H3
InChIKeyHAWHACLAQRBGCP-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.14
Rot. Bonds4

About 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide

2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide (PubChem CID 91481326) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide
PubChem CID91481326
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide
SMILESC=C(C)C(=CC)S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C11H20N2O2S/c1-4-11(9(2)3)16(14,15)13-10-5-7-12-8-6-10/h4,10,12-13H,2,5-8H2,1,3H3
InChIKeyHAWHACLAQRBGCP-UHFFFAOYSA-N
XLogP1.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
CID 71079553
1-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine
CID 90983960
3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide
CID 91039693
4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide
CID 134446947
1-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane
CID 143885490
3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane
CID 143885569
(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide
CID 143929667
4-methylidene-N-piperidin-4-ylcyclohexa-2,5-diene-1-sulfonamide
CID 144172249
1-(Cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine
CID 156776870
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
CID 163216363
4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-disulfonamide
CID 164863467
(3E,5Z)-2-[(2S)-piperidin-2-yl]hepta-1,3,5-triene-4-sulfonamide
CID 167033104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide?
The IUPAC name of 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide (CID 91481326) is 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide is C=C(C)C(=CC)S(=O)(=O)NC1CCNCC1.
What is the InChIKey of 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide?
The InChIKey is HAWHACLAQRBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-11(9(2)3)16(14,15)13-10-5-7-12-8-6-10/h4,10,12-13H,2,5-8H2,1,3H3.
What are the key properties of 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide?
2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide has a molecular weight of 244.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide is sourced from PubChem (CID 91481326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).