5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride

C14H21ClN2O3S — CID 114611631

IUPAC5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)cc1C(=O)N1CC(C)CC1C
InChIInChI=1S/C14H21ClN2O3S/c1-4-5-16-9-12(21(15,19)20)7-13(16)14(18)17-8-10(2)6-11(17)3/h7,9-11H,4-6,8H2,1-3H3
InChIKeyJYTCZJGXMPKGMK-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.70
Rot. Bonds4

About 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride

5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride (PubChem CID 114611631) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride
PubChem CID114611631
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)cc1C(=O)N1CC(C)CC1C
InChIInChI=1S/C14H21ClN2O3S/c1-4-5-16-9-12(21(15,19)20)7-13(16)14(18)17-8-10(2)6-11(17)3/h7,9-11H,4-6,8H2,1-3H3
InChIKeyJYTCZJGXMPKGMK-UHFFFAOYSA-N
XLogP2.70
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
ethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611653
2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 106207038
cyclopentylmethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611828
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217
1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611356
N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612598
(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43641681
5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611196
4-(2-methylpiperidin-1-yl)sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 43644200
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 65366871
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride (CID 114611631) is 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride is CCCn1cc(S(=O)(=O)Cl)cc1C(=O)N1CC(C)CC1C.
What is the InChIKey of 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride?
The InChIKey is JYTCZJGXMPKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-5-16-9-12(21(15,19)20)7-13(16)14(18)17-8-10(2)6-11(17)3/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride?
5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).