1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone

C12H23N3O3S — CID 51074982

IUPAC1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-12(16)13-8-10-15(11-9-13)19(17,18)14-6-4-2-3-5-7-14/h2-11H2,1H3
InChIKeyGPHBAIUSHDQILI-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.27
Rot. Bonds2

About 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone

1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone (PubChem CID 51074982) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone
PubChem CID51074982
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-12(16)13-8-10-15(11-9-13)19(17,18)14-6-4-2-3-5-7-14/h2-11H2,1H3
InChIKeyGPHBAIUSHDQILI-UHFFFAOYSA-N
XLogP0.27
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone 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

1-[4-(Azepan-1-ylsulfonyl)-1,4-diazepan-1-yl]ethanone
CID 45804249
4-acetyl-N-cyclohexyl-N-methyl-1,4-diazepane-1-sulfonamide
CID 45808804
1-Acetyl-4-(piperidylsulfonyl)piperazine
CID 2238783
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide
CID 41312033
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)azepane-1-sulfonamide
CID 43602806
1-(4-Piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 45806357
1-[4-(4-Methylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 45807739
1-[4-(3-Methylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 45811102
4-acetyl-N-butyl-N-methyl-1,4-diazepane-1-sulfonamide
CID 45813944
1-[4-(Azepan-1-ylsulfonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 52557139
N-[2-(4-acetylpiperazin-1-yl)ethyl]azepane-1-sulfonamide
CID 53515028
4-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
CID 55598111

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone (CID 51074982) is 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone?
The InChIKey is GPHBAIUSHDQILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-12(16)13-8-10-15(11-9-13)19(17,18)14-6-4-2-3-5-7-14/h2-11H2,1H3.
What are the key properties of 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone?
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone has a molecular weight of 289.40 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 51074982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).