2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene

C22H36O6S3 — CID 160929159

IUPAC2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene
SMILESC=CS(=O)(=O)C(C)C.CC(C)S(=O)(=O)/C=C/c1ccccc1.CC(C)S(=O)(=O)C1CC1
InChIInChI=1S/C11H14O2S.C6H12O2S.C5H10O2S/c1-10(2)14(12,13)9-8-11-6-4-3-5-7-11;1-5(2)9(7,8)6-3-4-6;1-4-8(6,7)5(2)3/h3-10H,1-2H3;5-6H,3-4H2,1-2H3;4-5H,1H2,2-3H3/b9-8+;;
InChIKeySTAMPQPQAVPYFC-YEUQMBKVSA-N
MW492.73 g/mol
LogP4.41
Rot. Bonds7

About 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene

2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene (PubChem CID 160929159) has the molecular formula C22H36O6S3 and a molecular weight of 492.73 g/mol. Its IUPAC name is 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene.

Molecular Properties

Compound Name2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene
PubChem CID160929159
Molecular FormulaC22H36O6S3
Molecular Weight492.73 g/mol
Exact Mass492.17
IUPAC Name2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene
SMILESC=CS(=O)(=O)C(C)C.CC(C)S(=O)(=O)/C=C/c1ccccc1.CC(C)S(=O)(=O)C1CC1
InChIInChI=1S/C11H14O2S.C6H12O2S.C5H10O2S/c1-10(2)14(12,13)9-8-11-6-4-3-5-7-11;1-5(2)9(7,8)6-3-4-6;1-4-8(6,7)5(2)3/h3-10H,1-2H3;5-6H,3-4H2,1-2H3;4-5H,1H2,2-3H3/b9-8+;;
InChIKeySTAMPQPQAVPYFC-YEUQMBKVSA-N
XLogP4.41
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.73
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene
CID 155934410
2-(2-phenylethenylsulfonyl)propanoic acid
CID 173278160
potassium;ethenesulfonic acid;2-phenylethenesulfonate
CID 172779366
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
sodium;buta-1,3-diene;2-methylbuta-1,3-diene;2-phenylethenesulfonate
CID 173352414
N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
CID 167832614
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
2-cyclopropylsulfonylpropylbenzene
CID 10857102
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride
CID 175553273
2-phenylethenesulfonate;tris(4-chlorophenyl)-methylphosphanium
CID 88618335
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene?
The IUPAC name of 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene (CID 160929159) is 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene.
What is the SMILES notation for 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene?
The canonical SMILES for 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene is C=CS(=O)(=O)C(C)C.CC(C)S(=O)(=O)/C=C/c1ccccc1.CC(C)S(=O)(=O)C1CC1.
What is the InChIKey of 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene?
The InChIKey is STAMPQPQAVPYFC-YEUQMBKVSA-N. The full InChI is InChI=1S/C11H14O2S.C6H12O2S.C5H10O2S/c1-10(2)14(12,13)9-8-11-6-4-3-5-7-11;1-5(2)9(7,8)6-3-4-6;1-4-8(6,7)5(2)3/h3-10H,1-2H3;5-6H,3-4H2,1-2H3;4-5H,1H2,2-3H3/b9-8+;;.
What are the key properties of 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene?
2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene has a molecular weight of 492.73 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene is sourced from PubChem (CID 160929159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).