2-cyclobutyl-2-methylpropane-1-sulfonyl chloride

C8H15ClO2S — CID 115027201

IUPAC2-cyclobutyl-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)C1CCC1
InChIInChI=1S/C8H15ClO2S/c1-8(2,6-12(9,10)11)7-4-3-5-7/h7H,3-6H2,1-2H3
InChIKeyFVRFGVHJTYKOAM-UHFFFAOYSA-N
MW210.73 g/mol
LogP2.38
Rot. Bonds3

About 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride

2-cyclobutyl-2-methylpropane-1-sulfonyl chloride (PubChem CID 115027201) has the molecular formula C8H15ClO2S and a molecular weight of 210.73 g/mol. Its IUPAC name is 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclobutyl-2-methylpropane-1-sulfonyl chloride
PubChem CID115027201
Molecular FormulaC8H15ClO2S
Molecular Weight210.73 g/mol
Exact Mass210.05
IUPAC Name2-cyclobutyl-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)C1CCC1
InChIInChI=1S/C8H15ClO2S/c1-8(2,6-12(9,10)11)7-4-3-5-7/h7H,3-6H2,1-2H3
InChIKeyFVRFGVHJTYKOAM-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride (CID 115027201) is 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride is CC(C)(CS(=O)(=O)Cl)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride?
The InChIKey is FVRFGVHJTYKOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2S/c1-8(2,6-12(9,10)11)7-4-3-5-7/h7H,3-6H2,1-2H3.
What are the key properties of 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride?
2-cyclobutyl-2-methylpropane-1-sulfonyl chloride has a molecular weight of 210.73 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 115027201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).