4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide

C13H19N3O4S — CID 63844494

IUPAC4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCCC2C=O)cn1C
InChIInChI=1S/C13H19N3O4S/c1-14-13(18)12-7-11(8-15(12)2)21(19,20)16-6-4-3-5-10(16)9-17/h7-10H,3-6H2,1-2H3,(H,14,18)
InChIKeyAAYHMZLQILGUAD-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.13
Rot. Bonds4

About 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide

4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 63844494) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID63844494
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCCC2C=O)cn1C
InChIInChI=1S/C13H19N3O4S/c1-14-13(18)12-7-11(8-15(12)2)21(19,20)16-6-4-3-5-10(16)9-17/h7-10H,3-6H2,1-2H3,(H,14,18)
InChIKeyAAYHMZLQILGUAD-UHFFFAOYSA-N
XLogP0.13
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
CID 119984931
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 120718793
N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
CID 43362225
1-(4-methylphenyl)sulfonylpiperidine-2-carbaldehyde
CID 11140100
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
methyl 4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-1-methylpyrrole-2-carboxylate
CID 92722770
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103871490
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxylic acid
CID 82752043

Frequently Asked Questions

What is the IUPAC name of 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (CID 63844494) is 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCCCC2C=O)cn1C.
What is the InChIKey of 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is AAYHMZLQILGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-14-13(18)12-7-11(8-15(12)2)21(19,20)16-6-4-3-5-10(16)9-17/h7-10H,3-6H2,1-2H3,(H,14,18).
What are the key properties of 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 63844494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).