(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

C14H19NO2S — CID 102470768

IUPAC(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC/C=C1\CN(S(=O)(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C14H19NO2S/c1-4-13-10-15(9-12(13)3)18(16,17)14-7-5-11(2)6-8-14/h4-8,12H,9-10H2,1-3H3/b13-4+
InChIKeySQUCZAJBUFFWPV-YIXHJXPBSA-N
MW265.38 g/mol
LogP2.58
Rot. Bonds2

About (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 102470768) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID102470768
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC/C=C1\CN(S(=O)(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C14H19NO2S/c1-4-13-10-15(9-12(13)3)18(16,17)14-7-5-11(2)6-8-14/h4-8,12H,9-10H2,1-3H3/b13-4+
InChIKeySQUCZAJBUFFWPV-YIXHJXPBSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

(3Z)-3-(cyclopropylmethylidene)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134847900
(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine
CID 134949063
triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
CID 102470760
5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-one
CID 13015124
(3Z)-3-benzylidene-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 177418020
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
2-[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]propan-2-ol
CID 101490249
4-bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-one;ethane
CID 143616504
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
(1E,8E)-6,13-bis-(4-methylphenyl)sulfonyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 12983128
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 135001201

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 102470768) is (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is C/C=C1\CN(S(=O)(=O)c2ccc(C)cc2)CC1C.
What is the InChIKey of (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is SQUCZAJBUFFWPV-YIXHJXPBSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-4-13-10-15(9-12(13)3)18(16,17)14-7-5-11(2)6-8-14/h4-8,12H,9-10H2,1-3H3/b13-4+.
What are the key properties of (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 265.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 102470768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).