3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide

C14H22N2O2S — CID 91039693

IUPAC3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide
SMILESCC1(C)C=CC=CC(S(=O)(=O)NC2CCCNC2)=C1
InChIInChI=1S/C14H22N2O2S/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-12-6-5-9-15-11-12/h3-4,7-8,10,12,15-16H,5-6,9,11H2,1-2H3
InChIKeyRZTNNLRTXPRHEQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.69
Rot. Bonds3

About 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide

3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide (PubChem CID 91039693) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide
PubChem CID91039693
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide
SMILESCC1(C)C=CC=CC(S(=O)(=O)NC2CCCNC2)=C1
InChIInChI=1S/C14H22N2O2S/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-12-6-5-9-15-11-12/h3-4,7-8,10,12,15-16H,5-6,9,11H2,1-2H3
InChIKeyRZTNNLRTXPRHEQ-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]sulfonylpiperazine
CID 52948852
1-Cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
CID 71079553
2-[(3S)-3-methylpiperazin-1-yl]sulfonylcyclohexa-2,4-diene-1-thione
CID 87058169
6,6-dimethyl-N-piperidin-3-ylazepine-3-sulfonamide
CID 90952305
1-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine
CID 90983960
N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide
CID 91037030
2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide
CID 91481326
N-[1-[(1-amino-3-methylbutan-2-yl)amino]propan-2-yl]-5-methylcyclohepta-1,3,6-triene-1-sulfonamide
CID 129117748
N-[1-[(1-amino-3-methylbutan-2-yl)amino]propan-2-yl]-N,5-dimethylcyclohepta-1,3,6-triene-1-sulfonamide
CID 129117807
N-[(2S)-1-[[(2R)-1-amino-3-methylbutan-2-yl]amino]propan-2-yl]-5-methylcyclohepta-1,3,6-triene-1-sulfonamide
CID 129117977
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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide (CID 91039693) is 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide is CC1(C)C=CC=CC(S(=O)(=O)NC2CCCNC2)=C1.
What is the InChIKey of 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide?
The InChIKey is RZTNNLRTXPRHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-12-6-5-9-15-11-12/h3-4,7-8,10,12,15-16H,5-6,9,11H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide?
3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide is sourced from PubChem (CID 91039693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).