2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide

C7H13NO4S — CID 165486153

IUPAC2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CC2COCC2O1
InChIInChI=1S/C7H13NO4S/c8-13(9,10)4-6-1-5-2-11-3-7(5)12-6/h5-7H,1-4H2,(H2,8,9,10)
InChIKeyQZRWCJODEIGTLI-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.92
Rot. Bonds2

About 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide

2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide (PubChem CID 165486153) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide
PubChem CID165486153
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CC2COCC2O1
InChIInChI=1S/C7H13NO4S/c8-13(9,10)4-6-1-5-2-11-3-7(5)12-6/h5-7H,1-4H2,(H2,8,9,10)
InChIKeyQZRWCJODEIGTLI-UHFFFAOYSA-N
XLogP-0.92
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-[(2R,3aR,6aR)-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonyl chloride
CID 132398677
{Hexahydrofuro[2,3-c]furan-2-yl}methanesulfonyl fluoride
CID 165686059
rac-[(3aR,6aR)-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonyl fluoride
CID 165686065
Hexahydrofuro[2,3-c]furan-2-ylmethanesulfonyl fluoride
CID 165905630
{Hexahydrofuro[2,3-c]furan-2-yl}methanesulfonyl chloride
CID 132342207
[(3Ar,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonyl chloride
CID 132342240
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide
CID 165452956
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride
CID 165459173
[(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide
CID 165459175
rac-[(3aR,6aR)-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide
CID 165486116
Hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide
CID 165596868
[(3aS,6aS)-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonyl chloride
CID 165745026

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide?
The IUPAC name of 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide (CID 165486153) is 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide is NS(=O)(=O)CC1CC2COCC2O1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide?
The InChIKey is QZRWCJODEIGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c8-13(9,10)4-6-1-5-2-11-3-7(5)12-6/h5-7H,1-4H2,(H2,8,9,10).
What are the key properties of 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide?
2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide has a molecular weight of 207.25 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanesulfonamide is sourced from PubChem (CID 165486153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).