2-(1-methoxycyclobutyl)ethanesulfonyl chloride

C7H13ClO3S — CID 103558701

IUPAC2-(1-methoxycyclobutyl)ethanesulfonyl chloride
SMILESCOC1(CCS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H13ClO3S/c1-11-7(3-2-4-7)5-6-12(8,9)10/h2-6H2,1H3
InChIKeyJVWWBOUBDSHAKP-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.51
Rot. Bonds4

About 2-(1-methoxycyclobutyl)ethanesulfonyl chloride

2-(1-methoxycyclobutyl)ethanesulfonyl chloride (PubChem CID 103558701) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)ethanesulfonyl chloride
PubChem CID103558701
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name2-(1-methoxycyclobutyl)ethanesulfonyl chloride
SMILESCOC1(CCS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H13ClO3S/c1-11-7(3-2-4-7)5-6-12(8,9)10/h2-6H2,1H3
InChIKeyJVWWBOUBDSHAKP-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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)ethanesulfonyl chloride?
The IUPAC name of 2-(1-methoxycyclobutyl)ethanesulfonyl chloride (CID 103558701) is 2-(1-methoxycyclobutyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(1-methoxycyclobutyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(1-methoxycyclobutyl)ethanesulfonyl chloride is COC1(CCS(=O)(=O)Cl)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)ethanesulfonyl chloride?
The InChIKey is JVWWBOUBDSHAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-11-7(3-2-4-7)5-6-12(8,9)10/h2-6H2,1H3.
What are the key properties of 2-(1-methoxycyclobutyl)ethanesulfonyl chloride?
2-(1-methoxycyclobutyl)ethanesulfonyl 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 2-(1-methoxycyclobutyl)ethanesulfonyl chloride is sourced from PubChem (CID 103558701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).