[(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene

C14H18O2S — CID 155934410

IUPAC[(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene
SMILESCC[C@@H](/C=C/c1ccccc1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H18O2S/c1-2-13(17(15,16)14-10-11-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3/b9-8+/t13-/m0/s1
InChIKeyLCWJNOGGNFEKRK-XEHSLEBBSA-N
MW250.36 g/mol
LogP3.06
Rot. Bonds5

About [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene

[(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene (PubChem CID 155934410) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene.

Molecular Properties

Compound Name[(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene
PubChem CID155934410
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name[(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene
SMILESCC[C@@H](/C=C/c1ccccc1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H18O2S/c1-2-13(17(15,16)14-10-11-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3/b9-8+/t13-/m0/s1
InChIKeyLCWJNOGGNFEKRK-XEHSLEBBSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene
CID 155934408
2-ethenylsulfonylpropane;propan-2-ylsulfonylcyclopropane;[(E)-2-propan-2-ylsulfonylethenyl]benzene
CID 160929159
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
3-methoxypent-1-enylbenzene
CID 71364960
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine
CID 64675315
[(E,3S)-3-(benzenesulfonyl)-6-methoxyhex-1-enyl]benzene
CID 155934559
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
CID 102130816
(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide
CID 15212439

Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene?
The IUPAC name of [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene (CID 155934410) is [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene.
What is the SMILES notation for [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene?
The canonical SMILES for [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene is CC[C@@H](/C=C/c1ccccc1)S(=O)(=O)C1CC1.
What is the InChIKey of [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene?
The InChIKey is LCWJNOGGNFEKRK-XEHSLEBBSA-N. The full InChI is InChI=1S/C14H18O2S/c1-2-13(17(15,16)14-10-11-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3/b9-8+/t13-/m0/s1.
What are the key properties of [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene?
[(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene has a molecular weight of 250.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene is sourced from PubChem (CID 155934410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).