3,3-dimethylcyclobutane-1-sulfonyl chloride

C6H11ClO2S — CID 130967108

IUPAC3,3-dimethylcyclobutane-1-sulfonyl chloride
SMILESCC1(C)CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H11ClO2S/c1-6(2)3-5(4-6)10(7,8)9/h5H,3-4H2,1-2H3
InChIKeyQEOBYXOZSIQDRK-UHFFFAOYSA-N
MW182.67 g/mol
LogP1.74
Rot. Bonds1

About 3,3-dimethylcyclobutane-1-sulfonyl chloride

3,3-dimethylcyclobutane-1-sulfonyl chloride (PubChem CID 130967108) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is 3,3-dimethylcyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3-dimethylcyclobutane-1-sulfonyl chloride
PubChem CID130967108
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name3,3-dimethylcyclobutane-1-sulfonyl chloride
SMILESCC1(C)CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H11ClO2S/c1-6(2)3-5(4-6)10(7,8)9/h5H,3-4H2,1-2H3
InChIKeyQEOBYXOZSIQDRK-UHFFFAOYSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclobutane-1-sulfonyl chloride?
The IUPAC name of 3,3-dimethylcyclobutane-1-sulfonyl chloride (CID 130967108) is 3,3-dimethylcyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3,3-dimethylcyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3,3-dimethylcyclobutane-1-sulfonyl chloride is CC1(C)CC(S(=O)(=O)Cl)C1.
What is the InChIKey of 3,3-dimethylcyclobutane-1-sulfonyl chloride?
The InChIKey is QEOBYXOZSIQDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-6(2)3-5(4-6)10(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethylcyclobutane-1-sulfonyl chloride?
3,3-dimethylcyclobutane-1-sulfonyl chloride has a molecular weight of 182.67 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 130967108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).