2-cyclopropyl-2-methoxyethanesulfonyl chloride

C6H11ClO3S — CID 105451878

IUPAC2-cyclopropyl-2-methoxyethanesulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C6H11ClO3S/c1-10-6(5-2-3-5)4-11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyGMEYYKNUPPSKLQ-UHFFFAOYSA-N
MW198.67 g/mol
LogP0.98
Rot. Bonds4

About 2-cyclopropyl-2-methoxyethanesulfonyl chloride

2-cyclopropyl-2-methoxyethanesulfonyl chloride (PubChem CID 105451878) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxyethanesulfonyl chloride
PubChem CID105451878
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name2-cyclopropyl-2-methoxyethanesulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C6H11ClO3S/c1-10-6(5-2-3-5)4-11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyGMEYYKNUPPSKLQ-UHFFFAOYSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride
CID 125041504
2-cyclopropyl-2-methoxyethanamine
CID 66072378
3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
CID 105484134
2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
CID 165459370
methyl 3-cyclopropyl-3-methoxypropanoate
CID 10313241
2-methoxy-3-methylbutane-1-sulfonyl chloride
CID 105453266
2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride
CID 165492971
2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride
CID 165492969
2-methoxypentane-1-sulfonyl chloride
CID 105453267
1-(2-cyclopropyl-2-methoxyethyl)-1-methylhydrazine
CID 105428683
2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide
CID 126819309
1-[4-(1-methoxypropyl)cyclohexyl]ethanol
CID 139792579

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxyethanesulfonyl chloride?
The IUPAC name of 2-cyclopropyl-2-methoxyethanesulfonyl chloride (CID 105451878) is 2-cyclopropyl-2-methoxyethanesulfonyl chloride.
What is the SMILES notation for 2-cyclopropyl-2-methoxyethanesulfonyl chloride?
The canonical SMILES for 2-cyclopropyl-2-methoxyethanesulfonyl chloride is COC(CS(=O)(=O)Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxyethanesulfonyl chloride?
The InChIKey is GMEYYKNUPPSKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-10-6(5-2-3-5)4-11(7,8)9/h5-6H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-2-methoxyethanesulfonyl chloride?
2-cyclopropyl-2-methoxyethanesulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxyethanesulfonyl chloride is sourced from PubChem (CID 105451878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).