(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine

C14H21NO2S — CID 51855861

IUPAC(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-3-11-18(16,17)15-10-4-5-14(15)13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3/t14-/m0/s1
InChIKeyNRSVGMYEHUUSKW-AWEZNQCLSA-N
MW267.39 g/mol
LogP2.87
Rot. Bonds4

About (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine

(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine (PubChem CID 51855861) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine
PubChem CID51855861
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-3-11-18(16,17)15-10-4-5-14(15)13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3/t14-/m0/s1
InChIKeyNRSVGMYEHUUSKW-AWEZNQCLSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
(2S)-2-(3-methylphenyl)-1-propylsulfonylazepane
CID 95078889
2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine
CID 61384264
N,N-diethyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 24678968
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 50747098
5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 110104284
2-(3,4-dichlorophenyl)-1-ethylsulfonylpyrrolidine
CID 61356195
1-(4-chlorobutylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 116815217
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 11937565
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
CID 92502946

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine?
The IUPAC name of (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine (CID 51855861) is (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCC[C@H]1c1ccc(C)cc1.
What is the InChIKey of (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine?
The InChIKey is NRSVGMYEHUUSKW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-11-18(16,17)15-10-4-5-14(15)13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine?
(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 51855861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).