(NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride

C6H11ClN2O2S — CID 14069592

IUPAC(NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride
SMILESCN1CCCC/C1=N\S(=O)(=O)Cl
InChIInChI=1S/C6H11ClN2O2S/c1-9-5-3-2-4-6(9)8-12(7,10)11/h2-5H2,1H3/b8-6+
InChIKeyJFABWHKCRWZVHH-SOFGYWHQSA-N
MW210.69 g/mol
LogP0.98
Rot. Bonds1

About (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride

(NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride (PubChem CID 14069592) has the molecular formula C6H11ClN2O2S and a molecular weight of 210.69 g/mol. Its IUPAC name is (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride.

Molecular Properties

Compound Name(NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride
PubChem CID14069592
Molecular FormulaC6H11ClN2O2S
Molecular Weight210.69 g/mol
Exact Mass210.02
IUPAC Name(NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride
SMILESCN1CCCC/C1=N\S(=O)(=O)Cl
InChIInChI=1S/C6H11ClN2O2S/c1-9-5-3-2-4-6(9)8-12(7,10)11/h2-5H2,1H3/b8-6+
InChIKeyJFABWHKCRWZVHH-SOFGYWHQSA-N
XLogP0.98
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride 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 (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride?
The IUPAC name of (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride (CID 14069592) is (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride.
What is the SMILES notation for (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride?
The canonical SMILES for (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride is CN1CCCC/C1=N\S(=O)(=O)Cl.
What is the InChIKey of (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride?
The InChIKey is JFABWHKCRWZVHH-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H11ClN2O2S/c1-9-5-3-2-4-6(9)8-12(7,10)11/h2-5H2,1H3/b8-6+.
What are the key properties of (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride?
(NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride has a molecular weight of 210.69 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-methylpiperidin-2-ylidene)sulfamoyl chloride is sourced from PubChem (CID 14069592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).