ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate

C13H18N2O5S2 — CID 6486063

IUPACethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C13H18N2O5S2/c1-2-20-13(17)9-3-5-15(6-4-9)22(18,19)10-7-11(12(14)16)21-8-10/h7-9H,2-6H2,1H3,(H2,14,16)
InChIKeySCWOALOPNAUBJB-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.81
Rot. Bonds5

About ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate

ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 6486063) has the molecular formula C13H18N2O5S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate
PubChem CID6486063
Molecular FormulaC13H18N2O5S2
Molecular Weight346.43 g/mol
Exact Mass346.07
IUPAC Nameethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C13H18N2O5S2/c1-2-20-13(17)9-3-5-15(6-4-9)22(18,19)10-7-11(12(14)16)21-8-10/h7-9H,2-6H2,1H3,(H2,14,16)
InChIKeySCWOALOPNAUBJB-UHFFFAOYSA-N
XLogP0.81
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-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-[(2-thienylcarbonylamino)thioxomethyl]piperidine-4-carboxylate
CID 2886575
4-[(3-Methyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxamide
CID 6486032
Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
4-(1-Piperidinylsulfonyl)-2-thiophenecarboxamide
CID 6486027
4-(4-Morpholinylsulfonyl)-2-thiophenecarboxamide
CID 6486031
4-(2-Methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 20900814
Ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2813582
Ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-2-carboxylate
CID 16019584
4-[4-[Methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide
CID 16025117
Ethyl 1-{[5-(aminocarbonyl)-3-thienyl]sulfonyl}-3-piperidinecarboxylate
CID 16019593
4-(4-Methylpiperidin-1-ylsulfonyl)thiophene-2-carboxamide
CID 6486029
4-({4-[(3-Ethoxypropyl)(methyl)amino]piperidin-1-yl}sulfonyl)thiophene-2-carboxamide
CID 20937292

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate (CID 6486063) is ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1.
What is the InChIKey of ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is SCWOALOPNAUBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S2/c1-2-20-13(17)9-3-5-15(6-4-9)22(18,19)10-7-11(12(14)16)21-8-10/h7-9H,2-6H2,1H3,(H2,14,16).
What are the key properties of ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate?
ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-carbamoylthiophen-3-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 6486063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).