ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate

C12H17ClN2O4S2 — CID 2815498

IUPACethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H17ClN2O4S2/c1-2-19-12(16)15-7-5-9(6-8-15)14-21(17,18)11-4-3-10(13)20-11/h3-4,9,14H,2,5-8H2,1H3
InChIKeyMBNDGAHIIVFMIX-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.30
Rot. Bonds4

About ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 2815498) has the molecular formula C12H17ClN2O4S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
PubChem CID2815498
Molecular FormulaC12H17ClN2O4S2
Molecular Weight352.87 g/mol
Exact Mass352.03
IUPAC Nameethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H17ClN2O4S2/c1-2-19-12(16)15-7-5-9(6-8-15)14-21(17,18)11-4-3-10(13)20-11/h3-4,9,14H,2,5-8H2,1H3
InChIKeyMBNDGAHIIVFMIX-UHFFFAOYSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate 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 (3S)-3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
CID 124853545
ethyl (3R)-3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
CID 124853544
methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 86841914
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8787229
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate (CID 2815498) is ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is MBNDGAHIIVFMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S2/c1-2-19-12(16)15-7-5-9(6-8-15)14-21(17,18)11-4-3-10(13)20-11/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 352.87 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 2815498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).