ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride

C8H14Cl3NO6S2 — CID 162108744

IUPACethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride
SMILESCCOC(=O)C1CCN(S(=O)(=O)Cl)CC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H14ClNO4S.Cl2O2S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13;1-5(2,3)4/h7H,2-6H2,1H3;
InChIKeyZFWCZRJFKDWZPZ-UHFFFAOYSA-N
MW390.69 g/mol
LogP1.45
Rot. Bonds3

About ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride

ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride (PubChem CID 162108744) has the molecular formula C8H14Cl3NO6S2 and a molecular weight of 390.69 g/mol. Its IUPAC name is ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride.

Molecular Properties

Compound Nameethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride
PubChem CID162108744
Molecular FormulaC8H14Cl3NO6S2
Molecular Weight390.69 g/mol
Exact Mass388.93
IUPAC Nameethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride
SMILESCCOC(=O)C1CCN(S(=O)(=O)Cl)CC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H14ClNO4S.Cl2O2S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13;1-5(2,3)4/h7H,2-6H2,1H3;
InChIKeyZFWCZRJFKDWZPZ-UHFFFAOYSA-N
XLogP1.45
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228361
Methyl 1-sulfamoylpiperidine-4-carboxylate
CID 25323924
Ethyl 1-(fluorosulfonyl)piperidine-4-carboxylate
CID 122235964
[1-(Chlorosulfonyl)piperidin-4-yl]methyl acetate
CID 138040564
Ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
CID 670002
Ethyl 1-piperidin-1-ylsulfonylpiperidine-4-carboxylate
CID 4126641
4-Methoxycarbonylpiperidine-1-sulfonic acid
CID 68259806
Ethyl 1-chlorosulfonyl-4-methylpiperidine-4-carboxylate
CID 86223059
Ethyl 1-chloropiperidine-4-carboxylate
CID 90324533
4-Methoxycarbonylpiperidine-1-sulfinate
CID 117605559

Frequently Asked Questions

What is the IUPAC name of ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride?
The IUPAC name of ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride (CID 162108744) is ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride.
What is the SMILES notation for ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride?
The canonical SMILES for ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride is CCOC(=O)C1CCN(S(=O)(=O)Cl)CC1.O=S(=O)(Cl)Cl.
What is the InChIKey of ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride?
The InChIKey is ZFWCZRJFKDWZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO4S.Cl2O2S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13;1-5(2,3)4/h7H,2-6H2,1H3;.
What are the key properties of ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride?
ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride has a molecular weight of 390.69 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride is sourced from PubChem (CID 162108744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).