methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate

C15H19N5O4S — CID 156742325

IUPACmethyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(N3CCNCC3)nc2)ccn1S(N)(=O)=O
InChIInChI=1S/C15H19N5O4S/c1-24-15(21)14-12(4-7-20(14)25(16,22)23)11-2-3-13(18-10-11)19-8-5-17-6-9-19/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,22,23)
InChIKeyDKTBRIIWRVAATK-UHFFFAOYSA-N
MW365.42 g/mol
LogP-0.20
Rot. Bonds4

About methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate

methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate (PubChem CID 156742325) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate
PubChem CID156742325
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Namemethyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(N3CCNCC3)nc2)ccn1S(N)(=O)=O
InChIInChI=1S/C15H19N5O4S/c1-24-15(21)14-12(4-7-20(14)25(16,22)23)11-2-3-13(18-10-11)19-8-5-17-6-9-19/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,22,23)
InChIKeyDKTBRIIWRVAATK-UHFFFAOYSA-N
XLogP-0.20
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate (CID 156742325) is methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate is COC(=O)c1c(-c2ccc(N3CCNCC3)nc2)ccn1S(N)(=O)=O.
What is the InChIKey of methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate?
The InChIKey is DKTBRIIWRVAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-24-15(21)14-12(4-7-20(14)25(16,22)23)11-2-3-13(18-10-11)19-8-5-17-6-9-19/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,22,23).
What are the key properties of methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate?
methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate has a molecular weight of 365.42 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 156742325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).