1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine

C9H19N3O2S — CID 61227193

IUPAC1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine
SMILESCC1CCN(S(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C9H19N3O2S/c1-9-2-5-12(8-9)15(13,14)11-6-3-10-4-7-11/h9-10H,2-8H2,1H3
InChIKeyUBEMIBUPWAMDSO-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.52
Rot. Bonds2

About 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine

1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine (PubChem CID 61227193) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine
PubChem CID61227193
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine
SMILESCC1CCN(S(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C9H19N3O2S/c1-9-2-5-12(8-9)15(13,14)11-6-3-10-4-7-11/h9-10H,2-8H2,1H3
InChIKeyUBEMIBUPWAMDSO-UHFFFAOYSA-N
XLogP-0.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine (CID 61227193) is 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine is CC1CCN(S(=O)(=O)N2CCNCC2)C1.
What is the InChIKey of 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine?
The InChIKey is UBEMIBUPWAMDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-9-2-5-12(8-9)15(13,14)11-6-3-10-4-7-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine?
1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine has a molecular weight of 233.34 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidin-1-yl)sulfonylpiperazine is sourced from PubChem (CID 61227193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).