3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide

C9H18N2O4S2 — CID 20995139

IUPAC3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
SMILESCN1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C9H18N2O4S2/c1-10-3-5-11(6-4-10)17(14,15)9-2-7-16(12,13)8-9/h9H,2-8H2,1H3
InChIKeyRESRFQPNDIJCGH-UHFFFAOYSA-N
MW282.39 g/mol
LogP-1.25
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide

3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide (PubChem CID 20995139) has the molecular formula C9H18N2O4S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
PubChem CID20995139
Molecular FormulaC9H18N2O4S2
Molecular Weight282.39 g/mol
Exact Mass282.07
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
SMILESCN1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C9H18N2O4S2/c1-10-3-5-11(6-4-10)17(14,15)9-2-7-16(12,13)8-9/h9H,2-8H2,1H3
InChIKeyRESRFQPNDIJCGH-UHFFFAOYSA-N
XLogP-1.25
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide 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 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide (CID 20995139) is 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide is CN1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide?
The InChIKey is RESRFQPNDIJCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S2/c1-10-3-5-11(6-4-10)17(14,15)9-2-7-16(12,13)8-9/h9H,2-8H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide?
3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide has a molecular weight of 282.39 g/mol, XLogP of -1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 20995139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).