1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

C13H21N3O3S — CID 115687304

IUPAC1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCC(C)C1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)C1
InChIInChI=1S/C13H21N3O3S/c1-9(2)10-4-5-16(7-10)13(17)12-6-11(8-15(12)3)20(14,18)19/h6,8-10H,4-5,7H2,1-3H3,(H2,14,18,19)
InChIKeySWUICPRHBZXTOZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.79
Rot. Bonds3

About 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 115687304) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID115687304
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCC(C)C1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)C1
InChIInChI=1S/C13H21N3O3S/c1-9(2)10-4-5-16(7-10)13(17)12-6-11(8-15(12)3)20(14,18)19/h6,8-10H,4-5,7H2,1-3H3,(H2,14,18,19)
InChIKeySWUICPRHBZXTOZ-UHFFFAOYSA-N
XLogP0.79
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681351
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 114612226
1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 33400694
1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 114612465
5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
CID 66291736
5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
CID 103540961
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697874
3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146260
1-methyl-5-(3-oxo-1,4-diazepane-1-carbonyl)pyrrole-3-sulfonamide
CID 62898014
(2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63856930
1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide
CID 115664874

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (CID 115687304) is 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is CC(C)C1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)C1.
What is the InChIKey of 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is SWUICPRHBZXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)10-4-5-16(7-10)13(17)12-6-11(8-15(12)3)20(14,18)19/h6,8-10H,4-5,7H2,1-3H3,(H2,14,18,19).
What are the key properties of 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 115687304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).