1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene

C11H14O2S2 — CID 10105846

IUPAC1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene
SMILES[2H]/C(=C/CS(=O)(=O)c1ccc(C)cc1)SC
InChIInChI=1S/C11H14O2S2/c1-10-4-6-11(7-5-10)15(12,13)9-3-8-14-2/h3-8H,9H2,1-2H3/b8-3-/i8D
InChIKeyVLLXZJAIJXTVGC-UDMTYRHQSA-N
MW243.37 g/mol
LogP2.65
Rot. Bonds4

About 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene

1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene (PubChem CID 10105846) has the molecular formula C11H14O2S2 and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene
PubChem CID10105846
Molecular FormulaC11H14O2S2
Molecular Weight243.37 g/mol
Exact Mass243.05
IUPAC Name1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene
SMILES[2H]/C(=C/CS(=O)(=O)c1ccc(C)cc1)SC
InChIInChI=1S/C11H14O2S2/c1-10-4-6-11(7-5-10)15(12,13)9-3-8-14-2/h3-8H,9H2,1-2H3/b8-3-/i8D
InChIKeyVLLXZJAIJXTVGC-UDMTYRHQSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-(4-methylphenyl)sulfonylpent-3-en-2-one
CID 134857107
(E)-4-(4-methylphenyl)sulfonylbut-2-enoic acid
CID 115043674
1-(4,4-diiodobut-2-enylsulfonyl)-4-methylbenzene
CID 174329953
(E)-5-(4-methylphenyl)sulfonylpent-3-enoic acid
CID 115047345
methyl (E)-4-(4-methylphenyl)sulfonylbut-2-enoate
CID 10934043
1-methyl-4-[(E)-3-methylsulfanylpent-2-enyl]sulfonylbenzene
CID 15156181
1-[(E)-4-chloro-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 12572204
carbonic acid;1-methyl-4-prop-2-enylsulfonylbenzene
CID 159550827
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
2-[2-(4-methylphenyl)sulfonylethylidene]propanedioic acid
CID 122231634
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene (CID 10105846) is 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene is [2H]/C(=C/CS(=O)(=O)c1ccc(C)cc1)SC.
What is the InChIKey of 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene?
The InChIKey is VLLXZJAIJXTVGC-UDMTYRHQSA-N. The full InChI is InChI=1S/C11H14O2S2/c1-10-4-6-11(7-5-10)15(12,13)9-3-8-14-2/h3-8H,9H2,1-2H3/b8-3-/i8D.
What are the key properties of 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene?
1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene has a molecular weight of 243.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-deuterio-3-methylsulfanylprop-2-enyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 10105846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).