ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate

C16H25N3O6S — CID 3243586

IUPACethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cn1C
InChIInChI=1S/C16H25N3O6S/c1-4-24-15(20)14-10-13(11-18(14)3)26(22,23)17-12-6-8-19(9-7-12)16(21)25-5-2/h10-12,17H,4-9H2,1-3H3
InChIKeySDSJEEZAZGZOPU-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.10
Rot. Bonds6

About ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 3243586) has the molecular formula C16H25N3O6S and a molecular weight of 387.46 g/mol. Its IUPAC name is ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate
PubChem CID3243586
Molecular FormulaC16H25N3O6S
Molecular Weight387.46 g/mol
Exact Mass387.15
IUPAC Nameethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cn1C
InChIInChI=1S/C16H25N3O6S/c1-4-24-15(20)14-10-13(11-18(14)3)26(22,23)17-12-6-8-19(9-7-12)16(21)25-5-2/h10-12,17H,4-9H2,1-3H3
InChIKeySDSJEEZAZGZOPU-UHFFFAOYSA-N
XLogP1.10
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3943726
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
ethyl 4-({[1-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3244091
ethyl 4-{[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate
CID 3245578
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3485661
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4780076
methyl 1-methyl-4-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 16025639
methyl 4-{[(2-fluorophenyl)(propyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938589
Ethyl 1-(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylpiperidine-3-carboxylate
CID 22515695

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate (CID 3243586) is ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cn1C.
What is the InChIKey of ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is SDSJEEZAZGZOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6S/c1-4-24-15(20)14-10-13(11-18(14)3)26(22,23)17-12-6-8-19(9-7-12)16(21)25-5-2/h10-12,17H,4-9H2,1-3H3.
What are the key properties of ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 3243586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).