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

C16H28N2O2S — CID 143885569

IUPAC3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane
SMILESCC.CC1(C)C=CC=CC(S(=O)(=O)NC2CCCNC2)=C1
InChIInChI=1S/C14H22N2O2S.C2H6/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-12-6-5-9-15-11-12;1-2/h3-4,7-8,10,12,15-16H,5-6,9,11H2,1-2H3;1-2H3
InChIKeyNNNKVFSLFYSJJZ-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.72
Rot. Bonds3

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

3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane (PubChem CID 143885569) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane.

Molecular Properties

Compound Name3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane
PubChem CID143885569
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane
SMILESCC.CC1(C)C=CC=CC(S(=O)(=O)NC2CCCNC2)=C1
InChIInChI=1S/C14H22N2O2S.C2H6/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-12-6-5-9-15-11-12;1-2/h3-4,7-8,10,12,15-16H,5-6,9,11H2,1-2H3;1-2H3
InChIKeyNNNKVFSLFYSJJZ-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide
CID 91039693
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
ethane;N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide
CID 144047763
6,6-dimethyl-N-piperidin-3-ylazepine-3-sulfonamide;ethane
CID 144047812
4-methylidene-N-piperidin-4-ylcyclohexa-2,5-diene-1-sulfonamide
CID 144172249

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane?
The IUPAC name of 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane (CID 143885569) is 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane.
What is the SMILES notation for 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane?
The canonical SMILES for 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane is CC.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;ethane?
The InChIKey is NNNKVFSLFYSJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.C2H6/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-12-6-5-9-15-11-12;1-2/h3-4,7-8,10,12,15-16H,5-6,9,11H2,1-2H3;1-2H3.
What are the key properties of 3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane?
3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane has a molecular weight of 312.48 g/mol, XLogP of 2.72, 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;ethane is sourced from PubChem (CID 143885569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).