[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride

C7H13ClO3S — CID 155973813

IUPAC[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride
SMILESC[C@@H]1CCC[C@H](CS(=O)(=O)Cl)O1
InChIInChI=1S/C7H13ClO3S/c1-6-3-2-4-7(11-6)5-12(8,9)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyXFTNCRHZKGENJY-RNFRBKRXSA-N
MW212.70 g/mol
LogP1.51
Rot. Bonds2

About [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride

[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride (PubChem CID 155973813) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride
PubChem CID155973813
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride
SMILESC[C@@H]1CCC[C@H](CS(=O)(=O)Cl)O1
InChIInChI=1S/C7H13ClO3S/c1-6-3-2-4-7(11-6)5-12(8,9)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyXFTNCRHZKGENJY-RNFRBKRXSA-N
XLogP1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride?
The IUPAC name of [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride (CID 155973813) is [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride.
What is the SMILES notation for [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride?
The canonical SMILES for [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride is C[C@@H]1CCC[C@H](CS(=O)(=O)Cl)O1.
What is the InChIKey of [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride?
The InChIKey is XFTNCRHZKGENJY-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-6-3-2-4-7(11-6)5-12(8,9)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride?
[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride is sourced from PubChem (CID 155973813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).