4-(azepan-1-ylsulfonyl)piperazin-2-one

C10H19N3O3S — CID 16589539

IUPAC4-(azepan-1-ylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)N2CCCCCC2)CCN1
InChIInChI=1S/C10H19N3O3S/c14-10-9-13(8-5-11-10)17(15,16)12-6-3-1-2-4-7-12/h1-9H2,(H,11,14)
InChIKeyKORLYPALUDAKOL-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.46
Rot. Bonds2

About 4-(azepan-1-ylsulfonyl)piperazin-2-one

4-(azepan-1-ylsulfonyl)piperazin-2-one (PubChem CID 16589539) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)piperazin-2-one
PubChem CID16589539
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name4-(azepan-1-ylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)N2CCCCCC2)CCN1
InChIInChI=1S/C10H19N3O3S/c14-10-9-13(8-5-11-10)17(15,16)12-6-3-1-2-4-7-12/h1-9H2,(H,11,14)
InChIKeyKORLYPALUDAKOL-UHFFFAOYSA-N
XLogP-0.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azepan-1-ylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
CID 16589538
2-[azepan-1-ylsulfonyl(ethyl)amino]-N-methylacetamide
CID 37563608
2-[ethyl(piperidin-1-ylsulfonyl)amino]-N-methylacetamide
CID 37563669
2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 42955123
N-(2-oxoazepan-3-yl)piperidine-1-sulfonamide
CID 45821769
1-(Piperazin-1-ylacetyl)azepane
CID 7131459
4-[2-(Azepan-1-yl)-2-oxoethyl]piperazin-2-one
CID 24428079
1-Piperidin-1-ylsulfonyl-1,4-diazepan-5-one
CID 30668159
N-cyclohexyl-N-methyl-3-oxopiperazine-1-sulfonamide
CID 37225406
N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide
CID 39667501
2-(azepan-1-ylsulfonylamino)-N-propylacetamide
CID 18148474
2-(1,4-Diazepan-1-yl)-1-(piperidin-1-yl)ethanone
CID 28378489

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)piperazin-2-one?
The IUPAC name of 4-(azepan-1-ylsulfonyl)piperazin-2-one (CID 16589539) is 4-(azepan-1-ylsulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)piperazin-2-one?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)N2CCCCCC2)CCN1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)piperazin-2-one?
The InChIKey is KORLYPALUDAKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c14-10-9-13(8-5-11-10)17(15,16)12-6-3-1-2-4-7-12/h1-9H2,(H,11,14).
What are the key properties of 4-(azepan-1-ylsulfonyl)piperazin-2-one?
4-(azepan-1-ylsulfonyl)piperazin-2-one has a molecular weight of 261.35 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)piperazin-2-one is sourced from PubChem (CID 16589539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).