2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide

C10H21N3O3S — CID 55232023

IUPAC2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O3S/c1-10(2,3)17(15,16)12-8-9(14)13-6-4-11-5-7-13/h11-12H,4-8H2,1-3H3
InChIKeyFBJLTCWXTNWOQR-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.86
Rot. Bonds3

About 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide

2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide (PubChem CID 55232023) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide
PubChem CID55232023
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O3S/c1-10(2,3)17(15,16)12-8-9(14)13-6-4-11-5-7-13/h11-12H,4-8H2,1-3H3
InChIKeyFBJLTCWXTNWOQR-UHFFFAOYSA-N
XLogP-0.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide (CID 55232023) is 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide?
The InChIKey is FBJLTCWXTNWOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-10(2,3)17(15,16)12-8-9(14)13-6-4-11-5-7-13/h11-12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide?
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide is sourced from PubChem (CID 55232023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).