[(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride

C7H11ClO4S — CID 146082336

IUPAC[(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)C[C@@H]1C[C@H]2OCC[C@H]2O1
InChIInChI=1S/C7H11ClO4S/c8-13(9,10)4-5-3-7-6(12-5)1-2-11-7/h5-7H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyYPYMOHXENVKWAJ-RRKCRQDMSA-N
MW226.68 g/mol
LogP0.50
Rot. Bonds2

About [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride

[(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride (PubChem CID 146082336) has the molecular formula C7H11ClO4S and a molecular weight of 226.68 g/mol. Its IUPAC name is [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride
PubChem CID146082336
Molecular FormulaC7H11ClO4S
Molecular Weight226.68 g/mol
Exact Mass226.01
IUPAC Name[(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)C[C@@H]1C[C@H]2OCC[C@H]2O1
InChIInChI=1S/C7H11ClO4S/c8-13(9,10)4-5-3-7-6(12-5)1-2-11-7/h5-7H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyYPYMOHXENVKWAJ-RRKCRQDMSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride?
The IUPAC name of [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride (CID 146082336) is [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride.
What is the SMILES notation for [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride?
The canonical SMILES for [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride is O=S(=O)(Cl)C[C@@H]1C[C@H]2OCC[C@H]2O1.
What is the InChIKey of [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride?
The InChIKey is YPYMOHXENVKWAJ-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H11ClO4S/c8-13(9,10)4-5-3-7-6(12-5)1-2-11-7/h5-7H,1-4H2/t5-,6+,7+/m0/s1.
What are the key properties of [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride?
[(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride has a molecular weight of 226.68 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanesulfonyl chloride is sourced from PubChem (CID 146082336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).