1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

C13H21N3O3S — CID 114612465

IUPAC1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2CC)C1
InChIInChI=1S/C13H21N3O3S/c1-3-10-5-6-16(8-10)13(17)12-7-11(20(14,18)19)9-15(12)4-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,18,19)
InChIKeyCNXFQWSZHOSVEA-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.03
Rot. Bonds4

About 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 114612465) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID114612465
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2CC)C1
InChIInChI=1S/C13H21N3O3S/c1-3-10-5-6-16(8-10)13(17)12-7-11(20(14,18)19)9-15(12)4-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,18,19)
InChIKeyCNXFQWSZHOSVEA-UHFFFAOYSA-N
XLogP1.03
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154
5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
CID 103540961
1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 115687304
(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416742
cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612676
5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 114612226
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612520
4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid
CID 106668340
3-[1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217490

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (CID 114612465) is 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is CCC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2CC)C1.
What is the InChIKey of 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is CNXFQWSZHOSVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-10-5-6-16(8-10)13(17)12-7-11(20(14,18)19)9-15(12)4-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,18,19).
What are the key properties of 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 114612465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).