N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide

C15H25N3O2S — CID 91037030

IUPACN-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide
SMILESCCN1CCCC(NS(=O)(=O)C2=CN=CC(C)(C)C=C2)C1
InChIInChI=1S/C15H25N3O2S/c1-4-18-9-5-6-13(11-18)17-21(19,20)14-7-8-15(2,3)12-16-10-14/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3
InChIKeyCLQTXCVYBYUGQX-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.90
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide

N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide (PubChem CID 91037030) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide
PubChem CID91037030
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide
SMILESCCN1CCCC(NS(=O)(=O)C2=CN=CC(C)(C)C=C2)C1
InChIInChI=1S/C15H25N3O2S/c1-4-18-9-5-6-13(11-18)17-21(19,20)14-7-8-15(2,3)12-16-10-14/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3
InChIKeyCLQTXCVYBYUGQX-UHFFFAOYSA-N
XLogP1.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
6-(4-Ethylpiperazin-1-yl)sulfonyl-3,3-dimethylazepine
CID 91165967
1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine
CID 142995205
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

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide (CID 91037030) is N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide is CCN1CCCC(NS(=O)(=O)C2=CN=CC(C)(C)C=C2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide?
The InChIKey is CLQTXCVYBYUGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-18-9-5-6-13(11-18)17-21(19,20)14-7-8-15(2,3)12-16-10-14/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide?
N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-6,6-dimethylazepine-3-sulfonamide is sourced from PubChem (CID 91037030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).