[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide

C7H13NO4S — CID 165486116

IUPAC[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1
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)/t5-,6?,7+/m1/s1
InChIKeyQZRWCJODEIGTLI-UYMSWOSGSA-N
MW207.25 g/mol
LogP-0.92
Rot. Bonds2

About [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide

[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide (PubChem CID 165486116) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide
PubChem CID165486116
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1
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)/t5-,6?,7+/m1/s1
InChIKeyQZRWCJODEIGTLI-UYMSWOSGSA-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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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide?
The IUPAC name of [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide (CID 165486116) is [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide.
What is the SMILES notation for [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide?
The canonical SMILES for [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide is NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1.
What is the InChIKey of [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide?
The InChIKey is QZRWCJODEIGTLI-UYMSWOSGSA-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)/t5-,6?,7+/m1/s1.
What are the key properties of [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide?
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide 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 [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide is sourced from PubChem (CID 165486116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).