1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide

C15H20N2O3S — CID 154736148

IUPAC1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
SMILESCc1cccc(C2(C(=O)N3CCC(S(N)(=O)=O)C3)CC2)c1
InChIInChI=1S/C15H20N2O3S/c1-11-3-2-4-12(9-11)15(6-7-15)14(18)17-8-5-13(10-17)21(16,19)20/h2-4,9,13H,5-8,10H2,1H3,(H2,16,19,20)
InChIKeyYZIQXBZIRDTRTB-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.92
Rot. Bonds3

About 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide

1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide (PubChem CID 154736148) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
PubChem CID154736148
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
SMILESCc1cccc(C2(C(=O)N3CCC(S(N)(=O)=O)C3)CC2)c1
InChIInChI=1S/C15H20N2O3S/c1-11-3-2-4-12(9-11)15(6-7-15)14(18)17-8-5-13(10-17)21(16,19)20/h2-4,9,13H,5-8,10H2,1H3,(H2,16,19,20)
InChIKeyYZIQXBZIRDTRTB-UHFFFAOYSA-N
XLogP0.92
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119376299
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
[4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
CID 128879223
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
CID 71927956
[1-(3-methylphenyl)cyclopropyl]-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 99804836
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide
CID 154737138
(3S)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124703158
[1-(3-bromophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022790

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide (CID 154736148) is 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide is Cc1cccc(C2(C(=O)N3CCC(S(N)(=O)=O)C3)CC2)c1.
What is the InChIKey of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide?
The InChIKey is YZIQXBZIRDTRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-3-2-4-12(9-11)15(6-7-15)14(18)17-8-5-13(10-17)21(16,19)20/h2-4,9,13H,5-8,10H2,1H3,(H2,16,19,20).
What are the key properties of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide?
1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 154736148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).