1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride

C7H13ClO4S — CID 165490528

IUPAC1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride
SMILESCOCC(O)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H13ClO4S/c1-12-5-6(9)4-7(2-3-7)13(8,10)11/h6,9H,2-5H2,1H3
InChIKeyOBCCTQJSQLDEPX-UHFFFAOYSA-N
MW228.70 g/mol
LogP0.49
Rot. Bonds5

About 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride

1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165490528) has the molecular formula C7H13ClO4S and a molecular weight of 228.70 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride
PubChem CID165490528
Molecular FormulaC7H13ClO4S
Molecular Weight228.70 g/mol
Exact Mass228.02
IUPAC Name1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride
SMILESCOCC(O)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H13ClO4S/c1-12-5-6(9)4-7(2-3-7)13(8,10)11/h6,9H,2-5H2,1H3
InChIKeyOBCCTQJSQLDEPX-UHFFFAOYSA-N
XLogP0.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride (CID 165490528) is 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride is COCC(O)CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is OBCCTQJSQLDEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO4S/c1-12-5-6(9)4-7(2-3-7)13(8,10)11/h6,9H,2-5H2,1H3.
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride?
1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 228.70 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165490528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).