5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide

C13H21N3O4S — CID 103540961

IUPAC5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(OC)C1
InChIInChI=1S/C13H21N3O4S/c1-3-5-15-9-11(21(14,18)19)7-12(15)13(17)16-6-4-10(8-16)20-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,18,19)
InChIKeyAMSJFQVWSLMBOT-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.41
Rot. Bonds5

About 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide

5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide (PubChem CID 103540961) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
PubChem CID103540961
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(OC)C1
InChIInChI=1S/C13H21N3O4S/c1-3-5-15-9-11(21(14,18)19)7-12(15)13(17)16-6-4-10(8-16)20-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,18,19)
InChIKeyAMSJFQVWSLMBOT-UHFFFAOYSA-N
XLogP0.41
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 114612465
cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612665
N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540940
1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 115687304
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702
N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612598
butan-2-yl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612651
(4-chloro-1-propylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291483
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030
4-methylpentyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612732

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide?
The IUPAC name of 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide (CID 103540961) is 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide is CCCn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(OC)C1.
What is the InChIKey of 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide?
The InChIKey is AMSJFQVWSLMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-5-15-9-11(21(14,18)19)7-12(15)13(17)16-6-4-10(8-16)20-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,18,19).
What are the key properties of 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide?
5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide is sourced from PubChem (CID 103540961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).