3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride

C8H17ClN2O2S — CID 22007518

IUPAC3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride
SMILESCN1CCN(CCCS(=O)(=O)Cl)CC1
InChIInChI=1S/C8H17ClN2O2S/c1-10-4-6-11(7-5-10)3-2-8-14(9,12)13/h2-8H2,1H3
InChIKeyMLCQNQMRSGNESB-UHFFFAOYSA-N
MW240.76 g/mol
LogP0.19
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride

3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride (PubChem CID 22007518) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride
PubChem CID22007518
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC Name3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride
SMILESCN1CCN(CCCS(=O)(=O)Cl)CC1
InChIInChI=1S/C8H17ClN2O2S/c1-10-4-6-11(7-5-10)3-2-8-14(9,12)13/h2-8H2,1H3
InChIKeyMLCQNQMRSGNESB-UHFFFAOYSA-N
XLogP0.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride (CID 22007518) is 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride is CN1CCN(CCCS(=O)(=O)Cl)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride?
The InChIKey is MLCQNQMRSGNESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O2S/c1-10-4-6-11(7-5-10)3-2-8-14(9,12)13/h2-8H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride?
3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride has a molecular weight of 240.76 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 22007518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).