1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine

C14H22N2O2S — CID 90983960

IUPAC1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine
SMILESCC1(C)C=CC=CC(S(=O)(=O)N2CCCC(N)C2)=C1
InChIInChI=1S/C14H22N2O2S/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-9-5-6-12(15)11-16/h3-4,7-8,10,12H,5-6,9,11,15H2,1-2H3
InChIKeyQLSMRPVARCGWBP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.78
Rot. Bonds2

About 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine

1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine (PubChem CID 90983960) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine
PubChem CID90983960
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine
SMILESCC1(C)C=CC=CC(S(=O)(=O)N2CCCC(N)C2)=C1
InChIInChI=1S/C14H22N2O2S/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-9-5-6-12(15)11-16/h3-4,7-8,10,12H,5-6,9,11,15H2,1-2H3
InChIKeyQLSMRPVARCGWBP-UHFFFAOYSA-N
XLogP1.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
CID 71079553
6,6-dimethyl-N-piperidin-3-ylazepine-3-sulfonamide
CID 90952305
N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide
CID 91037030
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
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
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
1-Piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750203

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine (CID 90983960) is 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine is CC1(C)C=CC=CC(S(=O)(=O)N2CCCC(N)C2)=C1.
What is the InChIKey of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine?
The InChIKey is QLSMRPVARCGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-9-5-6-12(15)11-16/h3-4,7-8,10,12H,5-6,9,11,15H2,1-2H3.
What are the key properties of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine?
1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine has a molecular weight of 282.41 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 90983960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).