4-methylsulfonylpiperazine-1-sulfonamide

C5H13N3O4S2 — CID 60728221

IUPAC4-methylsulfonylpiperazine-1-sulfonamide
SMILESCS(=O)(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C5H13N3O4S2/c1-13(9,10)7-2-4-8(5-3-7)14(6,11)12/h2-5H2,1H3,(H2,6,11,12)
InChIKeyKTFRBTCIDMIYNV-UHFFFAOYSA-N
MW243.31 g/mol
LogP-2.23
Rot. Bonds2

About 4-methylsulfonylpiperazine-1-sulfonamide

4-methylsulfonylpiperazine-1-sulfonamide (PubChem CID 60728221) has the molecular formula C5H13N3O4S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methylsulfonylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methylsulfonylpiperazine-1-sulfonamide
PubChem CID60728221
Molecular FormulaC5H13N3O4S2
Molecular Weight243.31 g/mol
Exact Mass243.03
IUPAC Name4-methylsulfonylpiperazine-1-sulfonamide
SMILESCS(=O)(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C5H13N3O4S2/c1-13(9,10)7-2-4-8(5-3-7)14(6,11)12/h2-5H2,1H3,(H2,6,11,12)
InChIKeyKTFRBTCIDMIYNV-UHFFFAOYSA-N
XLogP-2.23
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpiperazine-1-sulfonamide?
The IUPAC name of 4-methylsulfonylpiperazine-1-sulfonamide (CID 60728221) is 4-methylsulfonylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-methylsulfonylpiperazine-1-sulfonamide?
The canonical SMILES for 4-methylsulfonylpiperazine-1-sulfonamide is CS(=O)(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonylpiperazine-1-sulfonamide?
The InChIKey is KTFRBTCIDMIYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O4S2/c1-13(9,10)7-2-4-8(5-3-7)14(6,11)12/h2-5H2,1H3,(H2,6,11,12).
What are the key properties of 4-methylsulfonylpiperazine-1-sulfonamide?
4-methylsulfonylpiperazine-1-sulfonamide has a molecular weight of 243.31 g/mol, XLogP of -2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperazine-1-sulfonamide is sourced from PubChem (CID 60728221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).