4-methylpiperazine-1-sulfonamide

C5H13N3O2S — CID 14326005

IUPAC4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C5H13N3O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3,(H2,6,9,10)
InChIKeyNMAOAFBQWWLHQG-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.56
Rot. Bonds1

About 4-methylpiperazine-1-sulfonamide

4-methylpiperazine-1-sulfonamide (PubChem CID 14326005) has the molecular formula C5H13N3O2S and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methylpiperazine-1-sulfonamide
PubChem CID14326005
Molecular FormulaC5H13N3O2S
Molecular Weight179.24 g/mol
Exact Mass179.07
IUPAC Name4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C5H13N3O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3,(H2,6,9,10)
InChIKeyNMAOAFBQWWLHQG-UHFFFAOYSA-N
XLogP-1.56
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-methylpiperazine-1-sulfonamide (CID 14326005) is 4-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-methylpiperazine-1-sulfonamide is CN1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-methylpiperazine-1-sulfonamide?
The InChIKey is NMAOAFBQWWLHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3,(H2,6,9,10).
What are the key properties of 4-methylpiperazine-1-sulfonamide?
4-methylpiperazine-1-sulfonamide has a molecular weight of 179.24 g/mol, XLogP of -1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 14326005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).