3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride

C6H13ClO3S — CID 64999859

IUPAC3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCOCC(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO3S/c1-6(2,4-10-3)5-11(7,8)9/h4-5H2,1-3H3
InChIKeyDSTJTVGITHHAPY-UHFFFAOYSA-N
MW200.69 g/mol
LogP1.23
Rot. Bonds4

About 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride

3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride (PubChem CID 64999859) has the molecular formula C6H13ClO3S and a molecular weight of 200.69 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride
PubChem CID64999859
Molecular FormulaC6H13ClO3S
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Name3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCOCC(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO3S/c1-6(2,4-10-3)5-11(7,8)9/h4-5H2,1-3H3
InChIKeyDSTJTVGITHHAPY-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride?
The IUPAC name of 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride (CID 64999859) is 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride is COCC(C)(C)CS(=O)(=O)Cl.
What is the InChIKey of 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride?
The InChIKey is DSTJTVGITHHAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3S/c1-6(2,4-10-3)5-11(7,8)9/h4-5H2,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride?
3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride has a molecular weight of 200.69 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride is sourced from PubChem (CID 64999859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).