N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C14H23N3O3S — CID 22552107

IUPACN,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C14H23N3O3S/c1-3-16(4-2)14(18)13-10-12(11-15-13)21(19,20)17-8-6-5-7-9-17/h10-11,15H,3-9H2,1-2H3
InChIKeyWGAAIVBSRWNEOQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.67
Rot. Bonds5

About N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 22552107) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID22552107
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C14H23N3O3S/c1-3-16(4-2)14(18)13-10-12(11-15-13)21(19,20)17-8-6-5-7-9-17/h10-11,15H,3-9H2,1-2H3
InChIKeyWGAAIVBSRWNEOQ-UHFFFAOYSA-N
XLogP1.67
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(piperazine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 9504111
N-{4-[(methylamino)sulfonyl]phenyl}-2-pyridinecarboxamide
CID 701247
1H-Pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10878782
10,10-dioxo-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-one
CID 468323
N-[4-(propylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 1630803
N-[4-(acetylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 2568741
Ethyl 4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine-1-carboxylate
CID 3242023
ethyl 4-({[1-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3244091
1-[1-Methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-4-phenylpiperazine
CID 6625570
N-(4-Ethylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6626029
N~2~-(2,3-Dimethylphenyl)-4-(piperidinosulfonyl)-1H-pyrrole-2-carboxamide
CID 16018581
1-(3-Chlorophenyl)-4-[4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
CID 16018606

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 22552107) is N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1.
What is the InChIKey of N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is WGAAIVBSRWNEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-16(4-2)14(18)13-10-12(11-15-13)21(19,20)17-8-6-5-7-9-17/h10-11,15H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 22552107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).