4-(cycloheptanecarbonyl)piperazine-1-sulfonamide

C12H23N3O3S — CID 62588341

IUPAC4-(cycloheptanecarbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C12H23N3O3S/c13-19(17,18)15-9-7-14(8-10-15)12(16)11-5-3-1-2-4-6-11/h11H,1-10H2,(H2,13,17,18)
InChIKeyOLROFAKGYOGGIR-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.30
Rot. Bonds2

About 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide

4-(cycloheptanecarbonyl)piperazine-1-sulfonamide (PubChem CID 62588341) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(cycloheptanecarbonyl)piperazine-1-sulfonamide
PubChem CID62588341
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name4-(cycloheptanecarbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C12H23N3O3S/c13-19(17,18)15-9-7-14(8-10-15)12(16)11-5-3-1-2-4-6-11/h11H,1-10H2,(H2,13,17,18)
InChIKeyOLROFAKGYOGGIR-UHFFFAOYSA-N
XLogP0.30
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aziridin-1-yl(cyclohexyl)methanone
CID 2309619
4-(piperidine-3-carbonyl)piperazine-1-sulfonamide
CID 54916601
4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
CID 81129268
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 61041905
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
4-(thiomorpholine-4-carbonyl)piperidine-1-sulfonamide
CID 47351910
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide (CID 62588341) is 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)C2CCCCCC2)CC1.
What is the InChIKey of 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide?
The InChIKey is OLROFAKGYOGGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c13-19(17,18)15-9-7-14(8-10-15)12(16)11-5-3-1-2-4-6-11/h11H,1-10H2,(H2,13,17,18).
What are the key properties of 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide?
4-(cycloheptanecarbonyl)piperazine-1-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptanecarbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 62588341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).