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

C7H13NO3S — CID 165459175

IUPAC[(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide
SMILESNS(=O)C[C@@H]1C[C@H]2COC[C@@H]2O1
InChIInChI=1S/C7H13NO3S/c8-12(9)4-6-1-5-2-10-3-7(5)11-6/h5-7H,1-4,8H2/t5-,6-,7-,12?/m0/s1
InChIKeyCALYQBOEDUJNIY-SYTOZWEMSA-N
MW191.25 g/mol
LogP-0.59
Rot. Bonds2

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

[(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide (PubChem CID 165459175) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide.

Molecular Properties

Compound Name[(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide
PubChem CID165459175
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name[(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide
SMILESNS(=O)C[C@@H]1C[C@H]2COC[C@@H]2O1
InChIInChI=1S/C7H13NO3S/c8-12(9)4-6-1-5-2-10-3-7(5)11-6/h5-7H,1-4,8H2/t5-,6-,7-,12?/m0/s1
InChIKeyCALYQBOEDUJNIY-SYTOZWEMSA-N
XLogP-0.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide with MolForge

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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
rac-[(3aR,6aR)-hexahydrofuro[2,3-c]furan-2-yl]methanesulfonamide
CID 165486116
{Hexahydrofuro[2,3-c]furan-2-yl}methanesulfonamide
CID 165486153
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 [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide?
The IUPAC name of [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide (CID 165459175) is [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide.
What is the SMILES notation for [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide?
The canonical SMILES for [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide is NS(=O)C[C@@H]1C[C@H]2COC[C@@H]2O1.
What is the InChIKey of [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide?
The InChIKey is CALYQBOEDUJNIY-SYTOZWEMSA-N. The full InChI is InChI=1S/C7H13NO3S/c8-12(9)4-6-1-5-2-10-3-7(5)11-6/h5-7H,1-4,8H2/t5-,6-,7-,12?/m0/s1.
What are the key properties of [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide?
[(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide has a molecular weight of 191.25 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinamide is sourced from PubChem (CID 165459175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).