[(E)-but-2-enyl]sulfinylmethylcyclopropane

C8H14OS — CID 131232381

IUPAC[(E)-but-2-enyl]sulfinylmethylcyclopropane
SMILESC/C=C/CS(=O)CC1CC1
InChIInChI=1S/C8H14OS/c1-2-3-6-10(9)7-8-4-5-8/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyPWICWWJSXBICMC-NSCUHMNNSA-N
MW158.27 g/mol
LogP1.72
Rot. Bonds4

About [(E)-but-2-enyl]sulfinylmethylcyclopropane

[(E)-but-2-enyl]sulfinylmethylcyclopropane (PubChem CID 131232381) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is [(E)-but-2-enyl]sulfinylmethylcyclopropane.

Molecular Properties

Compound Name[(E)-but-2-enyl]sulfinylmethylcyclopropane
PubChem CID131232381
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name[(E)-but-2-enyl]sulfinylmethylcyclopropane
SMILESC/C=C/CS(=O)CC1CC1
InChIInChI=1S/C8H14OS/c1-2-3-6-10(9)7-8-4-5-8/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyPWICWWJSXBICMC-NSCUHMNNSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methylpropylsulfinylmethylcyclopropane
CID 21018607
3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine
CID 64655468
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol
CID 106132895
sodium;cyclopropylmethanesulfinic acid;hydride
CID 174898426
2-(cyclohexylmethylsulfinyl)ethanamine
CID 58684182
1-pent-3-enyl-4-propylcyclohexane
CID 72599468
1-ethynyl-4-(3,3,3-trifluoropropylsulfinylmethyl)cyclohexane
CID 59378313
4-(cyclopropylmethylsulfinyl)-2-methylaniline
CID 81182244
3-(cyclohexylmethylsulfinylmethyl)azetidine
CID 81196611
1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
CID 158715477

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]sulfinylmethylcyclopropane?
The IUPAC name of [(E)-but-2-enyl]sulfinylmethylcyclopropane (CID 131232381) is [(E)-but-2-enyl]sulfinylmethylcyclopropane.
What is the SMILES notation for [(E)-but-2-enyl]sulfinylmethylcyclopropane?
The canonical SMILES for [(E)-but-2-enyl]sulfinylmethylcyclopropane is C/C=C/CS(=O)CC1CC1.
What is the InChIKey of [(E)-but-2-enyl]sulfinylmethylcyclopropane?
The InChIKey is PWICWWJSXBICMC-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-3-6-10(9)7-8-4-5-8/h2-3,8H,4-7H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enyl]sulfinylmethylcyclopropane?
[(E)-but-2-enyl]sulfinylmethylcyclopropane has a molecular weight of 158.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]sulfinylmethylcyclopropane is sourced from PubChem (CID 131232381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).