5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide

C13H21N3O3S — CID 114612226

IUPAC5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C(C)C)C1
InChIInChI=1S/C13H21N3O3S/c1-9(2)16-8-11(20(14,18)19)6-12(16)13(17)15-5-4-10(3)7-15/h6,8-10H,4-5,7H2,1-3H3,(H2,14,18,19)
InChIKeyZSVCIVAPKGBDBG-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.20
Rot. Bonds3

About 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide

5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 114612226) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID114612226
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C(C)C)C1
InChIInChI=1S/C13H21N3O3S/c1-9(2)16-8-11(20(14,18)19)6-12(16)13(17)15-5-4-10(3)7-15/h6,8-10H,4-5,7H2,1-3H3,(H2,14,18,19)
InChIKeyZSVCIVAPKGBDBG-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 115687304
(4-amino-3-methylpiperidin-1-yl)-(4-chloro-1-propan-2-ylpyrrol-2-yl)methanone
CID 79868416
4-bromo-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 62732706
1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 114612465
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612374
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
(4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103530028
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-1-propan-2-ylpyrrol-2-yl)methanone
CID 43644139
N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612366
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697874
(4-amino-3-methylpiperidin-1-yl)-(4-nitro-1-propan-2-ylpyrrol-2-yl)methanone
CID 79873694
3-(3,5-dimethylazepane-1-carbonyl)-4,5-dimethylbenzenesulfonamide
CID 102560580

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 114612226) is 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide is CC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C(C)C)C1.
What is the InChIKey of 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is ZSVCIVAPKGBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)16-8-11(20(14,18)19)6-12(16)13(17)15-5-4-10(3)7-15/h6,8-10H,4-5,7H2,1-3H3,(H2,14,18,19).
What are the key properties of 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide?
5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 114612226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).