1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid

C6H10O4S — CID 135220836

IUPAC1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid
SMILESO=S(=O)(O)C1(C[C@H]2CO2)CC1
InChIInChI=1S/C6H10O4S/c7-11(8,9)6(1-2-6)3-5-4-10-5/h5H,1-4H2,(H,7,8,9)/t5-/m0/s1
InChIKeyVEPMXAQTQDDLNB-YFKPBYRVSA-N
MW178.21 g/mol
LogP0.20
Rot. Bonds3

About 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid

1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid (PubChem CID 135220836) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid.

Molecular Properties

Compound Name1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid
PubChem CID135220836
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid
SMILESO=S(=O)(O)C1(C[C@H]2CO2)CC1
InChIInChI=1S/C6H10O4S/c7-11(8,9)6(1-2-6)3-5-4-10-5/h5H,1-4H2,(H,7,8,9)/t5-/m0/s1
InChIKeyVEPMXAQTQDDLNB-YFKPBYRVSA-N
XLogP0.20
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfonic acid
CID 71616121
4-(oxiran-2-ylmethyl)oxan-4-ol
CID 131631933
1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid
CID 88879313
1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
CID 151360819
1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide
CID 89253259
1-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl chloride
CID 147458194
potassium;hydride;1-prop-2-enylcyclopropane-1-sulfonic acid
CID 173007165
3-(oxiran-2-yl)prop-1-ene-1-sulfonic acid
CID 57221391
guanidine;2-methyloxirane;sulfamic acid
CID 88640000
[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
CID 165442527
1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile
CID 125448984
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
CID 156636382

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid?
The IUPAC name of 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid (CID 135220836) is 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid.
What is the SMILES notation for 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid?
The canonical SMILES for 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid is O=S(=O)(O)C1(C[C@H]2CO2)CC1.
What is the InChIKey of 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid?
The InChIKey is VEPMXAQTQDDLNB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O4S/c7-11(8,9)6(1-2-6)3-5-4-10-5/h5H,1-4H2,(H,7,8,9)/t5-/m0/s1.
What are the key properties of 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid?
1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid has a molecular weight of 178.21 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid is sourced from PubChem (CID 135220836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).