1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride

C10H17ClO3S — CID 165495279

IUPAC1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride
SMILESCC1(C)COC(CC2(S(=O)(=O)Cl)CC2)C1
InChIInChI=1S/C10H17ClO3S/c1-9(2)5-8(14-7-9)6-10(3-4-10)15(11,12)13/h8H,3-7H2,1-2H3
InChIKeyFUCIAAPAERNUKR-UHFFFAOYSA-N
MW252.76 g/mol
LogP2.29
Rot. Bonds3

About 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride

1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride (PubChem CID 165495279) has the molecular formula C10H17ClO3S and a molecular weight of 252.76 g/mol. Its IUPAC name is 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride
PubChem CID165495279
Molecular FormulaC10H17ClO3S
Molecular Weight252.76 g/mol
Exact Mass252.06
IUPAC Name1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride
SMILESCC1(C)COC(CC2(S(=O)(=O)Cl)CC2)C1
InChIInChI=1S/C10H17ClO3S/c1-9(2)5-8(14-7-9)6-10(3-4-10)15(11,12)13/h8H,3-7H2,1-2H3
InChIKeyFUCIAAPAERNUKR-UHFFFAOYSA-N
XLogP2.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.76
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride (CID 165495279) is 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride is CC1(C)COC(CC2(S(=O)(=O)Cl)CC2)C1.
What is the InChIKey of 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride?
The InChIKey is FUCIAAPAERNUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO3S/c1-9(2)5-8(14-7-9)6-10(3-4-10)15(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride?
1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride has a molecular weight of 252.76 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165495279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).