2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide

C14H19N5O3S — CID 91910385

IUPAC2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c1
InChIInChI=1S/C14H19N5O3S/c1-18-8-12(17-9-18)23(21,22)19-6-2-3-10(7-19)13-11(14(15)20)4-5-16-13/h4-5,8-10,16H,2-3,6-7H2,1H3,(H2,15,20)
InChIKeyLGAJISYMUZFFLQ-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.42
Rot. Bonds4

About 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide

2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 91910385) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID91910385
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c1
InChIInChI=1S/C14H19N5O3S/c1-18-8-12(17-9-18)23(21,22)19-6-2-3-10(7-19)13-11(14(15)20)4-5-16-13/h4-5,8-10,16H,2-3,6-7H2,1H3,(H2,15,20)
InChIKeyLGAJISYMUZFFLQ-UHFFFAOYSA-N
XLogP0.42
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide (CID 91910385) is 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c1.
What is the InChIKey of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is LGAJISYMUZFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-18-8-12(17-9-18)23(21,22)19-6-2-3-10(7-19)13-11(14(15)20)4-5-16-13/h4-5,8-10,16H,2-3,6-7H2,1H3,(H2,15,20).
What are the key properties of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide?
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91910385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).