3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide

C9H18N2O4S2 — CID 62672783

IUPAC3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
SMILESCC1CNCCN1S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O4S2/c1-8-6-10-3-4-11(8)17(14,15)9-2-5-16(12,13)7-9/h8-10H,2-7H2,1H3
InChIKeyBQALEHOMQFJLAT-UHFFFAOYSA-N
MW282.39 g/mol
LogP-1.20
Rot. Bonds2

About 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide

3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide (PubChem CID 62672783) has the molecular formula C9H18N2O4S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
PubChem CID62672783
Molecular FormulaC9H18N2O4S2
Molecular Weight282.39 g/mol
Exact Mass282.07
IUPAC Name3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
SMILESCC1CNCCN1S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O4S2/c1-8-6-10-3-4-11(8)17(14,15)9-2-5-16(12,13)7-9/h8-10H,2-7H2,1H3
InChIKeyBQALEHOMQFJLAT-UHFFFAOYSA-N
XLogP-1.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-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-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide?
The IUPAC name of 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide (CID 62672783) is 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide?
The canonical SMILES for 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide is CC1CNCCN1S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide?
The InChIKey is BQALEHOMQFJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S2/c1-8-6-10-3-4-11(8)17(14,15)9-2-5-16(12,13)7-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide?
3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide has a molecular weight of 282.39 g/mol, XLogP of -1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 62672783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).