(1-methoxycyclobutyl)methanesulfonyl chloride

C6H11ClO3S — CID 115021592

IUPAC(1-methoxycyclobutyl)methanesulfonyl chloride
SMILESCOC1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C6H11ClO3S/c1-10-6(3-2-4-6)5-11(7,8)9/h2-5H2,1H3
InChIKeyCARQNAUGLGWZPA-UHFFFAOYSA-N
MW198.67 g/mol
LogP1.12
Rot. Bonds3

About (1-methoxycyclobutyl)methanesulfonyl chloride

(1-methoxycyclobutyl)methanesulfonyl chloride (PubChem CID 115021592) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is (1-methoxycyclobutyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-methoxycyclobutyl)methanesulfonyl chloride
PubChem CID115021592
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name(1-methoxycyclobutyl)methanesulfonyl chloride
SMILESCOC1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C6H11ClO3S/c1-10-6(3-2-4-6)5-11(7,8)9/h2-5H2,1H3
InChIKeyCARQNAUGLGWZPA-UHFFFAOYSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-2-methyl-1-propanesulfonyl chloride
CID 22636775
(3-Methoxycyclobutyl)methanesulfonyl chloride
CID 131604165
3-Methoxy-3-methylbutane-1-sulfonyl chloride
CID 86775253
(1-Ethoxycyclobutyl)methanesulfonyl chloride
CID 115028154
(3-Ethoxycyclobutyl)methanesulfonyl chloride
CID 131271440
[3-(Tert-butoxy)cyclobutyl]methanesulfonyl chloride
CID 138040512
[3-Methoxy-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 145915384
Rac-(1s,3s)-3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
CID 146049928
2,2-Difluoro-2-(1-methoxycyclobutyl)ethane-1-sulfonyl chloride
CID 155819590
rac-((1R,2R)-2-methoxycyclobutyl)methanesulfonyl chloride
CID 155822063
(1-Ethoxycyclobutyl)methanesulfonyl fluoride
CID 165865061
(1-Methoxycyclobutyl)methanesulfonyl fluoride
CID 165872425

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)methanesulfonyl chloride?
The IUPAC name of (1-methoxycyclobutyl)methanesulfonyl chloride (CID 115021592) is (1-methoxycyclobutyl)methanesulfonyl chloride.
What is the SMILES notation for (1-methoxycyclobutyl)methanesulfonyl chloride?
The canonical SMILES for (1-methoxycyclobutyl)methanesulfonyl chloride is COC1(CS(=O)(=O)Cl)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)methanesulfonyl chloride?
The InChIKey is CARQNAUGLGWZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-10-6(3-2-4-6)5-11(7,8)9/h2-5H2,1H3.
What are the key properties of (1-methoxycyclobutyl)methanesulfonyl chloride?
(1-methoxycyclobutyl)methanesulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)methanesulfonyl chloride is sourced from PubChem (CID 115021592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).