(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine

C17H19NO2S2 — CID 134949063

IUPAC(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine
SMILESCc1ccc(S(=O)(=O)N2C/C(=C\c3cccs3)C(C)C2)cc1
InChIInChI=1S/C17H19NO2S2/c1-13-5-7-17(8-6-13)22(19,20)18-11-14(2)15(12-18)10-16-4-3-9-21-16/h3-10,14H,11-12H2,1-2H3/b15-10+
InChIKeyRHVYJNFZZJILGZ-XNTDXEJSSA-N
MW333.48 g/mol
LogP3.78
Rot. Bonds3

About (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine

(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine (PubChem CID 134949063) has the molecular formula C17H19NO2S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine.

Molecular Properties

Compound Name(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine
PubChem CID134949063
Molecular FormulaC17H19NO2S2
Molecular Weight333.48 g/mol
Exact Mass333.09
IUPAC Name(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine
SMILESCc1ccc(S(=O)(=O)N2C/C(=C\c3cccs3)C(C)C2)cc1
InChIInChI=1S/C17H19NO2S2/c1-13-5-7-17(8-6-13)22(19,20)18-11-14(2)15(12-18)10-16-4-3-9-21-16/h3-10,14H,11-12H2,1-2H3/b15-10+
InChIKeyRHVYJNFZZJILGZ-XNTDXEJSSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102470768
(3Z)-3-(cyclopropylmethylidene)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134847900
triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
CID 102470760
(3Z)-3-benzylidene-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 177418020
(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 135001201
(3Z)-3-benzylidene-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 11209974
2-[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]propan-2-ol
CID 101490249
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 177385222
[(4E)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 11450753
(3Z)-3-benzylidene-1-(4-methylphenyl)sulfonyl-4-(2-methylprop-1-enyl)pyrrolidine
CID 54763073
(1E,8E)-6,13-bis-(4-methylphenyl)sulfonyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 12983128

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine?
The IUPAC name of (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine (CID 134949063) is (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine.
What is the SMILES notation for (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine?
The canonical SMILES for (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine is Cc1ccc(S(=O)(=O)N2C/C(=C\c3cccs3)C(C)C2)cc1.
What is the InChIKey of (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine?
The InChIKey is RHVYJNFZZJILGZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H19NO2S2/c1-13-5-7-17(8-6-13)22(19,20)18-11-14(2)15(12-18)10-16-4-3-9-21-16/h3-10,14H,11-12H2,1-2H3/b15-10+.
What are the key properties of (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine?
(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine has a molecular weight of 333.48 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine is sourced from PubChem (CID 134949063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).