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

C15H23N3O6S — CID 24791928

IUPACethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1
InChIInChI=1S/C15H23N3O6S/c1-4-24-15(20)18-7-5-11(6-8-18)16-25(21,22)12-9-13(14(19)23-3)17(2)10-12/h9-11,16H,4-8H2,1-3H3
InChIKeyKKWVLFCXBQLRFG-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.71
Rot. Bonds5

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

ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 24791928) has the molecular formula C15H23N3O6S and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate
PubChem CID24791928
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Nameethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1
InChIInChI=1S/C15H23N3O6S/c1-4-24-15(20)18-7-5-11(6-8-18)16-25(21,22)12-9-13(14(19)23-3)17(2)10-12/h9-11,16H,4-8H2,1-3H3
InChIKeyKKWVLFCXBQLRFG-UHFFFAOYSA-N
XLogP0.71
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate (CID 24791928) is ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1.
What is the InChIKey of ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is KKWVLFCXBQLRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6S/c1-4-24-15(20)18-7-5-11(6-8-18)16-25(21,22)12-9-13(14(19)23-3)17(2)10-12/h9-11,16H,4-8H2,1-3H3.
What are the key properties of ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 24791928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).