[1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride

C7H13ClO3S — CID 122163175

IUPAC[1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride
SMILESCOCC1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H13ClO3S/c1-11-5-7(3-2-4-7)6-12(8,9)10/h2-6H2,1H3
InChIKeyHXAYQWPLLWBMLS-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.37
Rot. Bonds4

About [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride

[1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 122163175) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID122163175
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name[1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride
SMILESCOCC1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H13ClO3S/c1-11-5-7(3-2-4-7)6-12(8,9)10/h2-6H2,1H3
InChIKeyHXAYQWPLLWBMLS-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methoxymethyl)cyclobutane-1-sulfonyl chloride
CID 132342190
(3-Methyloxan-3-yl)methanesulfonylchloride
CID 105466432
rac-((1R,2R)-2-methoxycyclobutyl)methanesulfonyl chloride
CID 155822063
(3,3-Difluoro-1-(methoxymethyl)cyclobutyl)methanesulfonyl chloride
CID 155978486
[1-(Methoxymethyl)cyclobutyl]methanesulfonyl fluoride
CID 165864900
[3,3-Difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl fluoride
CID 165900156
6-Oxa-7lambda6-thiaspiro[3.4]octane 7,7-dioxide
CID 57726944
1-(3-Methyloxetan-3-yl)propane-2-sulfonic acid
CID 87530874
3-(3-Methyloxetan-3-yl)propane-1-sulfonic acid
CID 87530875
(1-Methylcyclobutyl)methyl methanesulfonate
CID 156193414
Methyl 2-oxaspiro[3.3]heptan-6-ylmethanesulfonate
CID 164853148
2-Oxaspiro[3.3]heptane-6-sulfonyl chloride
CID 176401902

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride (CID 122163175) is [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride is COCC1(CS(=O)(=O)Cl)CCC1.
What is the InChIKey of [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is HXAYQWPLLWBMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-11-5-7(3-2-4-7)6-12(8,9)10/h2-6H2,1H3.
What are the key properties of [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride?
[1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 122163175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).