ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate

C8H14ClNO4S — CID 59049637

IUPACethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cl
InChIInChI=1S/C8H14ClNO4S/c1-2-14-8(11)7-5-3-4-6-10(7)15(9,12)13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyLGLAGFGRWNMERP-ZETCQYMHSA-N
MW255.72 g/mol
LogP0.89
Rot. Bonds3

About ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate

ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate (PubChem CID 59049637) has the molecular formula C8H14ClNO4S and a molecular weight of 255.72 g/mol. Its IUPAC name is ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
PubChem CID59049637
Molecular FormulaC8H14ClNO4S
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC Nameethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cl
InChIInChI=1S/C8H14ClNO4S/c1-2-14-8(11)7-5-3-4-6-10(7)15(9,12)13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyLGLAGFGRWNMERP-ZETCQYMHSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
CID 43648308
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
ethyl (2R)-1-thiomorpholin-4-ylsulfonylpiperidine-2-carboxylate
CID 94810365
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538
CID 59417753
CID 59417753
ethyl 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylate
CID 47006019
ethyl 1-(1,1-dioxothiolan-3-yl)sulfonylpiperidine-2-carboxylate
CID 115539005
ethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 43648322
ethyl (2R)-1-(4-tert-butylphenyl)sulfonylpiperidine-2-carboxylate
CID 52505893
ethyl 1-(3-chloro-2-methylpropyl)sulfonylpyrrolidine-2-carboxylate
CID 79586314

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate (CID 59049637) is ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cl.
What is the InChIKey of ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate?
The InChIKey is LGLAGFGRWNMERP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14ClNO4S/c1-2-14-8(11)7-5-3-4-6-10(7)15(9,12)13/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate?
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate has a molecular weight of 255.72 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 59049637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).