(1-chlorosulfonylpiperidin-4-yl)methyl acetate

C8H14ClNO4S — CID 138040564

IUPAC(1-chlorosulfonylpiperidin-4-yl)methyl acetate
SMILESCC(=O)OCC1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO4S/c1-7(11)14-6-8-2-4-10(5-3-8)15(9,12)13/h8H,2-6H2,1H3
InChIKeyXEQLPYVOLBXMJN-UHFFFAOYSA-N
MW255.72 g/mol
LogP0.75
Rot. Bonds3

About (1-chlorosulfonylpiperidin-4-yl)methyl acetate

(1-chlorosulfonylpiperidin-4-yl)methyl acetate (PubChem CID 138040564) has the molecular formula C8H14ClNO4S and a molecular weight of 255.72 g/mol. Its IUPAC name is (1-chlorosulfonylpiperidin-4-yl)methyl acetate.

Molecular Properties

Compound Name(1-chlorosulfonylpiperidin-4-yl)methyl acetate
PubChem CID138040564
Molecular FormulaC8H14ClNO4S
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC Name(1-chlorosulfonylpiperidin-4-yl)methyl acetate
SMILESCC(=O)OCC1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO4S/c1-7(11)14-6-8-2-4-10(5-3-8)15(9,12)13/h8H,2-6H2,1H3
InChIKeyXEQLPYVOLBXMJN-UHFFFAOYSA-N
XLogP0.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228361
Ethyl 1-(fluorosulfonyl)piperidine-4-carboxylate
CID 122235964
Ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
CID 670002
1-(1-Methylsulfonylpiperidin-4-yl)ethyl acetate
CID 68524691
Ethyl 1-chlorosulfonyl-4-methylpiperidine-4-carboxylate
CID 86223059
Ethyl 1-chlorosulfonylpiperidine-4-carboxylate;sulfuryl dichloride
CID 162108744
4-Ethoxycarbonyl-1-sulfinatochloranuidylpiperidine
CID 172176887
Methyl 1-[(dimethylamino)sulfonyl]piperidine-4-carboxylate
CID 4593023
Ethyl 1-sulfamoylpiperidine-4-carboxylate
CID 37225342
Ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
Methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409810

Frequently Asked Questions

What is the IUPAC name of (1-chlorosulfonylpiperidin-4-yl)methyl acetate?
The IUPAC name of (1-chlorosulfonylpiperidin-4-yl)methyl acetate (CID 138040564) is (1-chlorosulfonylpiperidin-4-yl)methyl acetate.
What is the SMILES notation for (1-chlorosulfonylpiperidin-4-yl)methyl acetate?
The canonical SMILES for (1-chlorosulfonylpiperidin-4-yl)methyl acetate is CC(=O)OCC1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of (1-chlorosulfonylpiperidin-4-yl)methyl acetate?
The InChIKey is XEQLPYVOLBXMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO4S/c1-7(11)14-6-8-2-4-10(5-3-8)15(9,12)13/h8H,2-6H2,1H3.
What are the key properties of (1-chlorosulfonylpiperidin-4-yl)methyl acetate?
(1-chlorosulfonylpiperidin-4-yl)methyl acetate has a molecular weight of 255.72 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chlorosulfonylpiperidin-4-yl)methyl acetate is sourced from PubChem (CID 138040564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).