cyclopropyl prop-2-ene-1-sulfonate

C6H10O3S — CID 174799667

IUPACcyclopropyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OC1CC1
InChIInChI=1S/C6H10O3S/c1-2-5-10(7,8)9-6-3-4-6/h2,6H,1,3-5H2
InChIKeyAKHJZCBRJQULBK-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.68
Rot. Bonds4

About cyclopropyl prop-2-ene-1-sulfonate

cyclopropyl prop-2-ene-1-sulfonate (PubChem CID 174799667) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is cyclopropyl prop-2-ene-1-sulfonate.

Molecular Properties

Compound Namecyclopropyl prop-2-ene-1-sulfonate
PubChem CID174799667
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Namecyclopropyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OC1CC1
InChIInChI=1S/C6H10O3S/c1-2-5-10(7,8)9-6-3-4-6/h2,6H,1,3-5H2
InChIKeyAKHJZCBRJQULBK-UHFFFAOYSA-N
XLogP0.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enylsulfonyl prop-2-ene-1-sulfonate
CID 18671222
CID 174758420
CID 174758420
[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl] prop-2-ene-1-sulfonate
CID 87783533
CID 173312842
CID 173312842
cyclopropyl 3-chloropropane-1-sulfonate
CID 175139715
(4-methylsulfanylcyclohexyl) ethanesulfonate
CID 175505235
nitro prop-2-ene-1-sulfonate
CID 174788650
cyclopropyloxysulfonylmethyl propanoate
CID 174799790
3-fluoropropyl prop-2-ene-1-sulfonate
CID 142698093
cyclopentyl 2,2-dimethylpropane-1-sulfonate
CID 174663479
N-cyclohexylprop-2-ene-1-sulfonamide
CID 78925210
2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
CID 79673584

Frequently Asked Questions

What is the IUPAC name of cyclopropyl prop-2-ene-1-sulfonate?
The IUPAC name of cyclopropyl prop-2-ene-1-sulfonate (CID 174799667) is cyclopropyl prop-2-ene-1-sulfonate.
What is the SMILES notation for cyclopropyl prop-2-ene-1-sulfonate?
The canonical SMILES for cyclopropyl prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OC1CC1.
What is the InChIKey of cyclopropyl prop-2-ene-1-sulfonate?
The InChIKey is AKHJZCBRJQULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-5-10(7,8)9-6-3-4-6/h2,6H,1,3-5H2.
What are the key properties of cyclopropyl prop-2-ene-1-sulfonate?
cyclopropyl prop-2-ene-1-sulfonate has a molecular weight of 162.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl prop-2-ene-1-sulfonate is sourced from PubChem (CID 174799667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).