2-cyclopropyl-2-ethoxyethanesulfonyl chloride

C7H13ClO3S — CID 131302460

IUPAC2-cyclopropyl-2-ethoxyethanesulfonyl chloride
SMILESCCOC(CS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C7H13ClO3S/c1-2-11-7(6-3-4-6)5-12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyNEGTVBXNDXKLFT-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.37
Rot. Bonds5

About 2-cyclopropyl-2-ethoxyethanesulfonyl chloride

2-cyclopropyl-2-ethoxyethanesulfonyl chloride (PubChem CID 131302460) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxyethanesulfonyl chloride
PubChem CID131302460
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name2-cyclopropyl-2-ethoxyethanesulfonyl chloride
SMILESCCOC(CS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C7H13ClO3S/c1-2-11-7(6-3-4-6)5-12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyNEGTVBXNDXKLFT-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

(3-Methoxycyclobutyl)methanesulfonyl chloride
CID 131604165
2-(3-Methylbutoxy)ethane-1-sulfonyl chloride
CID 61483450
2-(Cyclopropylmethoxy)ethane-1-sulfonyl chloride
CID 64197751
2-Cyclopropyl-2-methoxyethane-1-sulfonyl chloride
CID 105451878
rac-((2R,3S)-3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
(3-Ethoxycyclobutyl)methanesulfonyl chloride
CID 131271440
(4-Methyloxolan-2-yl)methanesulfonyl chloride
CID 131627526
rac-((1R,2R)-2-methoxycyclobutyl)methanesulfonyl chloride
CID 155822063
2-Cyclopropyl-2-ethoxyethane-1-sulfonyl fluoride
CID 165459796
2-Cyclopropyl-2-methoxyethane-1-sulfonyl fluoride
CID 165869117
1-Cyclopropylethyl ethanesulfonate
CID 89440210
4-((4-Methylpentan-2-yl)oxy)butane-1-sulfonyl chloride
CID 64200405

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxyethanesulfonyl chloride?
The IUPAC name of 2-cyclopropyl-2-ethoxyethanesulfonyl chloride (CID 131302460) is 2-cyclopropyl-2-ethoxyethanesulfonyl chloride.
What is the SMILES notation for 2-cyclopropyl-2-ethoxyethanesulfonyl chloride?
The canonical SMILES for 2-cyclopropyl-2-ethoxyethanesulfonyl chloride is CCOC(CS(=O)(=O)Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxyethanesulfonyl chloride?
The InChIKey is NEGTVBXNDXKLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-2-11-7(6-3-4-6)5-12(8,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-2-ethoxyethanesulfonyl chloride?
2-cyclopropyl-2-ethoxyethanesulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxyethanesulfonyl chloride is sourced from PubChem (CID 131302460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).