ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate

C13H18N2O5S2 — CID 122159396

IUPACethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O5S2/c1-2-20-13(17)10-5-3-4-6-15(10)12(16)9-7-11(21-8-9)22(14,18)19/h7-8,10H,2-6H2,1H3,(H2,14,18,19)
InChIKeyFGJWWBVUYBVJJS-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.95
Rot. Bonds4

About ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate

ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate (PubChem CID 122159396) has the molecular formula C13H18N2O5S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate
PubChem CID122159396
Molecular FormulaC13H18N2O5S2
Molecular Weight346.43 g/mol
Exact Mass346.07
IUPAC Nameethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O5S2/c1-2-20-13(17)10-5-3-4-6-15(10)12(16)9-7-11(21-8-9)22(14,18)19/h7-8,10H,2-6H2,1H3,(H2,14,18,19)
InChIKeyFGJWWBVUYBVJJS-UHFFFAOYSA-N
XLogP0.95
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-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 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514
4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide
CID 119434833
ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
CID 79461401
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
ethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627941
4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
CID 51270971
ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
CID 78991939
ethyl (2S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-2-carboxylate
CID 52812175
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate (CID 122159396) is ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is FGJWWBVUYBVJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S2/c1-2-20-13(17)10-5-3-4-6-15(10)12(16)9-7-11(21-8-9)22(14,18)19/h7-8,10H,2-6H2,1H3,(H2,14,18,19).
What are the key properties of ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate?
ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 122159396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).