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

C16H28N2O2S — CID 143885490

IUPAC1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane
SMILESCC.CC1(C)C=CC=CC(S(=O)(=O)N2CCCC(N)C2)=C1
InChIInChI=1S/C14H22N2O2S.C2H6/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-9-5-6-12(15)11-16;1-2/h3-4,7-8,10,12H,5-6,9,11,15H2,1-2H3;1-2H3
InChIKeyPWMUVTBRKZZZHU-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.80
Rot. Bonds2

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

1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane (PubChem CID 143885490) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane
PubChem CID143885490
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane
SMILESCC.CC1(C)C=CC=CC(S(=O)(=O)N2CCCC(N)C2)=C1
InChIInChI=1S/C14H22N2O2S.C2H6/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-9-5-6-12(15)11-16;1-2/h3-4,7-8,10,12H,5-6,9,11,15H2,1-2H3;1-2H3
InChIKeyPWMUVTBRKZZZHU-UHFFFAOYSA-N
XLogP2.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluoropiperazin-1-yl)butan-2-yl]-3-methylcyclohepta-2,4,6-triene-1-sulfonamide
CID 144176764
1-Cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
CID 71079553
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
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane?
The IUPAC name of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane (CID 143885490) is 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane.
What is the SMILES notation for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane?
The canonical SMILES for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane is CC.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;ethane?
The InChIKey is PWMUVTBRKZZZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.C2H6/c1-14(2)8-4-3-7-13(10-14)19(17,18)16-9-5-6-12(15)11-16;1-2/h3-4,7-8,10,12H,5-6,9,11,15H2,1-2H3;1-2H3.
What are the key properties of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane?
1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane has a molecular weight of 312.48 g/mol, XLogP of 2.80, 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;ethane is sourced from PubChem (CID 143885490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).