N,2-diethyl-3-oxopiperazine-1-sulfonamide

C8H17N3O3S — CID 115638456

IUPACN,2-diethyl-3-oxopiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C8H17N3O3S/c1-3-7-8(12)9-5-6-11(7)15(13,14)10-4-2/h7,10H,3-6H2,1-2H3,(H,9,12)
InChIKeyWIZAAVZLUSLCOC-UHFFFAOYSA-N
MW235.31 g/mol
LogP-0.95
Rot. Bonds4

About N,2-diethyl-3-oxopiperazine-1-sulfonamide

N,2-diethyl-3-oxopiperazine-1-sulfonamide (PubChem CID 115638456) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is N,2-diethyl-3-oxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,2-diethyl-3-oxopiperazine-1-sulfonamide
PubChem CID115638456
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC NameN,2-diethyl-3-oxopiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C8H17N3O3S/c1-3-7-8(12)9-5-6-11(7)15(13,14)10-4-2/h7,10H,3-6H2,1-2H3,(H,9,12)
InChIKeyWIZAAVZLUSLCOC-UHFFFAOYSA-N
XLogP-0.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide
CID 115638450
4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
CID 115617335
4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
CID 64987347
4-butylsulfonyl-3-ethylpiperazin-2-one
CID 63600864
3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one
CID 63602552
4-(1,1-dioxothian-4-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601892
3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 63604777
4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600178
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate
CID 63600686
4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
CID 63604435
N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide
CID 63601240
3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
CID 55216931

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-oxopiperazine-1-sulfonamide?
The IUPAC name of N,2-diethyl-3-oxopiperazine-1-sulfonamide (CID 115638456) is N,2-diethyl-3-oxopiperazine-1-sulfonamide.
What is the SMILES notation for N,2-diethyl-3-oxopiperazine-1-sulfonamide?
The canonical SMILES for N,2-diethyl-3-oxopiperazine-1-sulfonamide is CCNS(=O)(=O)N1CCNC(=O)C1CC.
What is the InChIKey of N,2-diethyl-3-oxopiperazine-1-sulfonamide?
The InChIKey is WIZAAVZLUSLCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-3-7-8(12)9-5-6-11(7)15(13,14)10-4-2/h7,10H,3-6H2,1-2H3,(H,9,12).
What are the key properties of N,2-diethyl-3-oxopiperazine-1-sulfonamide?
N,2-diethyl-3-oxopiperazine-1-sulfonamide has a molecular weight of 235.31 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3-oxopiperazine-1-sulfonamide is sourced from PubChem (CID 115638456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).