1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine

C19H23NO2S2 — CID 10882956

IUPAC1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine
SMILESCC(C)=C(c1cccs1)C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2S2/c1-14(2)19(18-7-5-13-23-18)17-6-4-12-20(17)24(21,22)16-10-8-15(3)9-11-16/h5,7-11,13,17H,4,6,12H2,1-3H3
InChIKeyLIBGYPSZIDOLAZ-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine

1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine (PubChem CID 10882956) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine
PubChem CID10882956
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC Name1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine
SMILESCC(C)=C(c1cccs1)C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2S2/c1-14(2)19(18-7-5-13-23-18)17-6-4-12-20(17)24(21,22)16-10-8-15(3)9-11-16/h5,7-11,13,17H,4,6,12H2,1-3H3
InChIKeyLIBGYPSZIDOLAZ-UHFFFAOYSA-N
XLogP4.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 12643847
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 15318368
2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 18510639
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
(2S)-1-(4-methylphenyl)sulfonyl-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 55940980

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine (CID 10882956) is 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine is CC(C)=C(c1cccs1)C1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine?
The InChIKey is LIBGYPSZIDOLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-14(2)19(18-7-5-13-23-18)17-6-4-12-20(17)24(21,22)16-10-8-15(3)9-11-16/h5,7-11,13,17H,4,6,12H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine?
1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine has a molecular weight of 361.53 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-(2-methyl-1-thiophen-2-ylprop-1-enyl)pyrrolidine is sourced from PubChem (CID 10882956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).