4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide

C12H19N3O4S — CID 81103089

IUPAC4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C)(O)CC2)cc1C(N)=O
InChIInChI=1S/C12H19N3O4S/c1-12(17)3-5-15(6-4-12)20(18,19)9-7-10(11(13)16)14(2)8-9/h7-8,17H,3-6H2,1-2H3,(H2,13,16)
InChIKeyQVXKOXAEOFDVQX-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.34
Rot. Bonds3

About 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide

4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide (PubChem CID 81103089) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide
PubChem CID81103089
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C)(O)CC2)cc1C(N)=O
InChIInChI=1S/C12H19N3O4S/c1-12(17)3-5-15(6-4-12)20(18,19)9-7-10(11(13)16)14(2)8-9/h7-8,17H,3-6H2,1-2H3,(H2,13,16)
InChIKeyQVXKOXAEOFDVQX-UHFFFAOYSA-N
XLogP-0.34
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide (CID 81103089) is 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCC(C)(O)CC2)cc1C(N)=O.
What is the InChIKey of 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide?
The InChIKey is QVXKOXAEOFDVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-12(17)3-5-15(6-4-12)20(18,19)9-7-10(11(13)16)14(2)8-9/h7-8,17H,3-6H2,1-2H3,(H2,13,16).
What are the key properties of 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide?
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 81103089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).