ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate

C15H21ClN2O4S — CID 70833458

IUPACethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(CN)CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-2-22-14(19)15(11-17)7-9-18(10-8-15)23(20,21)13-6-4-3-5-12(13)16/h3-6H,2,7-11,17H2,1H3
InChIKeyQBODRTZFTBMWIX-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.63
Rot. Bonds5

About ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate

ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 70833458) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID70833458
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Nameethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(CN)CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-2-22-14(19)15(11-17)7-9-18(10-8-15)23(20,21)13-6-4-3-5-12(13)16/h3-6H,2,7-11,17H2,1H3
InChIKeyQBODRTZFTBMWIX-UHFFFAOYSA-N
XLogP1.63
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125671
ethyl 1-[(2-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]-4-(cyanomethyl)piperidine-4-carboxylate
CID 91278724
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-ethoxyacetate
CID 9289640
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678
ethyl 1-(4-acetamidophenyl)sulfonyl-4-benzylpiperidine-4-carboxylate
CID 26401018
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
ethyl 1-[(2,6-dichlorophenyl)methyl]cyclopropane-1-carboxylate
CID 125471436
ethyl 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 26410876
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 47319368

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate (CID 70833458) is ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1(CN)CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is QBODRTZFTBMWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-2-22-14(19)15(11-17)7-9-18(10-8-15)23(20,21)13-6-4-3-5-12(13)16/h3-6H,2,7-11,17H2,1H3.
What are the key properties of ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate?
ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 360.86 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 70833458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).