(1-ethoxycyclobutyl)methanesulfonyl chloride

C7H13ClO3S — CID 115028154

IUPAC(1-ethoxycyclobutyl)methanesulfonyl chloride
SMILESCCOC1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H13ClO3S/c1-2-11-7(4-3-5-7)6-12(8,9)10/h2-6H2,1H3
InChIKeyMXGZWMFXZDAUOG-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.51
Rot. Bonds4

About (1-ethoxycyclobutyl)methanesulfonyl chloride

(1-ethoxycyclobutyl)methanesulfonyl chloride (PubChem CID 115028154) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is (1-ethoxycyclobutyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-ethoxycyclobutyl)methanesulfonyl chloride
PubChem CID115028154
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name(1-ethoxycyclobutyl)methanesulfonyl chloride
SMILESCCOC1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H13ClO3S/c1-2-11-7(4-3-5-7)6-12(8,9)10/h2-6H2,1H3
InChIKeyMXGZWMFXZDAUOG-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methoxycyclobutyl)methanesulfonyl chloride
CID 131604165
2-(Tert-butoxy)ethane-1-sulfonyl chloride
CID 64197967
3-Ethoxycyclobutane-1-sulfonyl chloride
CID 106824050
(1-Methoxycyclobutyl)methanesulfonyl chloride
CID 115021592
5,5-Dimethyloxolane-3-sulfonyl chloride
CID 126970912
(3-Ethoxycyclobutyl)methanesulfonyl chloride
CID 131271440
[3-(Tert-butoxy)cyclobutyl]methanesulfonyl chloride
CID 138040512
Rac-(1s,3s)-3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
CID 146049928
rac-((1R,2R)-2-methoxycyclobutyl)methanesulfonyl chloride
CID 155822063
(1r,3r)-3-(Tert-butoxy)cyclobutane-1-sulfonyl chloride
CID 165693226
(1-Ethoxycyclobutyl)methanesulfonyl fluoride
CID 165865061
(1-Methoxycyclobutyl)methanesulfonyl fluoride
CID 165872425

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclobutyl)methanesulfonyl chloride?
The IUPAC name of (1-ethoxycyclobutyl)methanesulfonyl chloride (CID 115028154) is (1-ethoxycyclobutyl)methanesulfonyl chloride.
What is the SMILES notation for (1-ethoxycyclobutyl)methanesulfonyl chloride?
The canonical SMILES for (1-ethoxycyclobutyl)methanesulfonyl chloride is CCOC1(CS(=O)(=O)Cl)CCC1.
What is the InChIKey of (1-ethoxycyclobutyl)methanesulfonyl chloride?
The InChIKey is MXGZWMFXZDAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-2-11-7(4-3-5-7)6-12(8,9)10/h2-6H2,1H3.
What are the key properties of (1-ethoxycyclobutyl)methanesulfonyl chloride?
(1-ethoxycyclobutyl)methanesulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclobutyl)methanesulfonyl chloride is sourced from PubChem (CID 115028154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).