ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate

C18H27N3O5S2 — CID 33170749

IUPACethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C18H27N3O5S2/c1-2-26-18(23)21-9-5-14(6-10-21)17(22)20-11-7-15(8-12-20)19-28(24,25)16-4-3-13-27-16/h3-4,13-15,19H,2,5-12H2,1H3
InChIKeyFCPAFZFIDAXNQI-UHFFFAOYSA-N
MW429.56 g/mol
LogP1.89
Rot. Bonds5

About ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate

ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 33170749) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID33170749
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC Nameethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C18H27N3O5S2/c1-2-26-18(23)21-9-5-14(6-10-21)17(22)20-11-7-15(8-12-20)19-28(24,25)16-4-3-13-27-16/h3-4,13-15,19H,2,5-12H2,1H3
InChIKeyFCPAFZFIDAXNQI-UHFFFAOYSA-N
XLogP1.89
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
CID 3244590
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
ethyl 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 25405160
tert-butyl 2-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 55527058
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate (CID 33170749) is ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is FCPAFZFIDAXNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-2-26-18(23)21-9-5-14(6-10-21)17(22)20-11-7-15(8-12-20)19-28(24,25)16-4-3-13-27-16/h3-4,13-15,19H,2,5-12H2,1H3.
What are the key properties of ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate?
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 429.56 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 33170749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).