N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide

C7H15N3O3S — CID 115638450

IUPACN-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCNC(=O)C1C
InChIInChI=1S/C7H15N3O3S/c1-3-9-14(12,13)10-5-4-8-7(11)6(10)2/h6,9H,3-5H2,1-2H3,(H,8,11)
InChIKeyKKUFHVPTRQUMLG-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.34
Rot. Bonds3

About N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide

N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide (PubChem CID 115638450) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide
PubChem CID115638450
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC NameN-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCNC(=O)C1C
InChIInChI=1S/C7H15N3O3S/c1-3-9-14(12,13)10-5-4-8-7(11)6(10)2/h6,9H,3-5H2,1-2H3,(H,8,11)
InChIKeyKKUFHVPTRQUMLG-UHFFFAOYSA-N
XLogP-1.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide?
The IUPAC name of N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide (CID 115638450) is N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide?
The canonical SMILES for N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide is CCNS(=O)(=O)N1CCNC(=O)C1C.
What is the InChIKey of N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide?
The InChIKey is KKUFHVPTRQUMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-3-9-14(12,13)10-5-4-8-7(11)6(10)2/h6,9H,3-5H2,1-2H3,(H,8,11).
What are the key properties of N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide?
N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide has a molecular weight of 221.28 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide is sourced from PubChem (CID 115638450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).