(4-methyloxetan-2-yl)methanesulfonic acid

C5H10O4S — CID 142737524

IUPAC(4-methyloxetan-2-yl)methanesulfonic acid
SMILESCC1CC(CS(=O)(=O)O)O1
InChIInChI=1S/C5H10O4S/c1-4-2-5(9-4)3-10(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)
InChIKeyQDDJRAMWKLLCIE-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.05
Rot. Bonds2

About (4-methyloxetan-2-yl)methanesulfonic acid

(4-methyloxetan-2-yl)methanesulfonic acid (PubChem CID 142737524) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is (4-methyloxetan-2-yl)methanesulfonic acid.

Molecular Properties

Compound Name(4-methyloxetan-2-yl)methanesulfonic acid
PubChem CID142737524
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name(4-methyloxetan-2-yl)methanesulfonic acid
SMILESCC1CC(CS(=O)(=O)O)O1
InChIInChI=1S/C5H10O4S/c1-4-2-5(9-4)3-10(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)
InChIKeyQDDJRAMWKLLCIE-UHFFFAOYSA-N
XLogP0.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxy-1-butanesulfonic acid
CID 407195
4-Ethoxy-1-pentanesulfonic acid
CID 407197
4-Propyloxathietane 2,2-dioxide
CID 85823240
Sodium 4-ethoxypentane-1-sulfonic acid
CID 54605119
2-Butoxyethanesulfonic acid
CID 12729688
2-Methoxypropane-1-sulfonic acid
CID 19869934
3-Propoxybutane-1-sulfonic acid
CID 19880009
2-Methoxybutane-1-sulfonic acid
CID 20349100
2-Hexan-2-yloxyethanesulfonic acid
CID 20656407
3-Isopropoxypropane-1-sulfonic Acid
CID 23033753
3-Methoxybutane-2-sulfonic acid
CID 23290291
3-Methoxybutane-1-sulfonic acid
CID 54153350

Frequently Asked Questions

What is the IUPAC name of (4-methyloxetan-2-yl)methanesulfonic acid?
The IUPAC name of (4-methyloxetan-2-yl)methanesulfonic acid (CID 142737524) is (4-methyloxetan-2-yl)methanesulfonic acid.
What is the SMILES notation for (4-methyloxetan-2-yl)methanesulfonic acid?
The canonical SMILES for (4-methyloxetan-2-yl)methanesulfonic acid is CC1CC(CS(=O)(=O)O)O1.
What is the InChIKey of (4-methyloxetan-2-yl)methanesulfonic acid?
The InChIKey is QDDJRAMWKLLCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-4-2-5(9-4)3-10(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8).
What are the key properties of (4-methyloxetan-2-yl)methanesulfonic acid?
(4-methyloxetan-2-yl)methanesulfonic acid has a molecular weight of 166.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxetan-2-yl)methanesulfonic acid is sourced from PubChem (CID 142737524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).