(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine

C14H19NO2S — CID 134851908

IUPAC(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H19NO2S/c1-11(2)13-8-9-15(10-13)18(16,17)14-6-4-12(3)5-7-14/h4-7,13H,1,8-10H2,2-3H3/t13-/m0/s1
InChIKeyTVLIJZNPYZJLEN-ZDUSSCGKSA-N
MW265.38 g/mol
LogP2.58
Rot. Bonds3

About (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine

(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine (PubChem CID 134851908) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine
PubChem CID134851908
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H19NO2S/c1-11(2)13-8-9-15(10-13)18(16,17)14-6-4-12(3)5-7-14/h4-7,13H,1,8-10H2,2-3H3/t13-/m0/s1
InChIKeyTVLIJZNPYZJLEN-ZDUSSCGKSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane
CID 102254531
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
(3S,4R)-3-(2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 139089883
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol
CID 177395494
sodium 1-(4-methylphenyl)sulfonylazetidine-3-carboxylate
CID 140937929
(3R,4R)-3-(1-cyclohexylethenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde
CID 102109588

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine?
The IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine (CID 134851908) is (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine is C=C(C)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine?
The InChIKey is TVLIJZNPYZJLEN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11(2)13-8-9-15(10-13)18(16,17)14-6-4-12(3)5-7-14/h4-7,13H,1,8-10H2,2-3H3/t13-/m0/s1.
What are the key properties of (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine?
(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine has a molecular weight of 265.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 134851908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).