1-methylsulfonylpiperazine-2-carboxamide

C6H13N3O3S — CID 54048478

IUPAC1-methylsulfonylpiperazine-2-carboxamide
SMILESCS(=O)(=O)N1CCNCC1C(N)=O
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)9-3-2-8-4-5(9)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)
InChIKeyLRFJMYPNKHFGEK-UHFFFAOYSA-N
MW207.25 g/mol
LogP-2.29
Rot. Bonds2

About 1-methylsulfonylpiperazine-2-carboxamide

1-methylsulfonylpiperazine-2-carboxamide (PubChem CID 54048478) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-methylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonylpiperazine-2-carboxamide
PubChem CID54048478
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name1-methylsulfonylpiperazine-2-carboxamide
SMILESCS(=O)(=O)N1CCNCC1C(N)=O
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)9-3-2-8-4-5(9)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)
InChIKeyLRFJMYPNKHFGEK-UHFFFAOYSA-N
XLogP-2.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpiperazine-2-carboxamide?
The IUPAC name of 1-methylsulfonylpiperazine-2-carboxamide (CID 54048478) is 1-methylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for 1-methylsulfonylpiperazine-2-carboxamide is CS(=O)(=O)N1CCNCC1C(N)=O.
What is the InChIKey of 1-methylsulfonylpiperazine-2-carboxamide?
The InChIKey is LRFJMYPNKHFGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-13(11,12)9-3-2-8-4-5(9)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10).
What are the key properties of 1-methylsulfonylpiperazine-2-carboxamide?
1-methylsulfonylpiperazine-2-carboxamide has a molecular weight of 207.25 g/mol, XLogP of -2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 54048478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).