N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide

C13H18N2O5S — CID 124782763

IUPACN-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C13H18N2O5S/c1-21(17,18)14-7-13-8-15(4-11(13)6-20-9-13)12(16)10-2-3-19-5-10/h2-3,5,11,14H,4,6-9H2,1H3/t11-,13+/m0/s1
InChIKeyJOGRTTZCQVCWSC-WCQYABFASA-N
MW314.36 g/mol
LogP-0.08
Rot. Bonds4

About N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide

N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide (PubChem CID 124782763) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
PubChem CID124782763
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C13H18N2O5S/c1-21(17,18)14-7-13-8-15(4-11(13)6-20-9-13)12(16)10-2-3-19-5-10/h2-3,5,11,14H,4,6-9H2,1H3/t11-,13+/m0/s1
InChIKeyJOGRTTZCQVCWSC-WCQYABFASA-N
XLogP-0.08
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3aS,6aR)-5-(pyrimidine-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420566
N-[[(3aR,6aS)-5-(furan-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124783661
N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420574
N-[[(3aS,6aR)-5-[2-(2-fluorophenyl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420583
N-[[(3aR,6aS)-5-(cyclohexanecarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124782036
N-[[(3aR,6aS)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124784233
[(3aS,6aR)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-methoxyphenyl)methanone
CID 97420854
N-[2-[(3aS,7aR)-5-(furan-3-carbonyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 97476498
N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133134513
N-[[(3aR,6aR)-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
CID 97420728
[7a-(methoxymethyl)-2-methylsulfonyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 171143631
furan-3-yl-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 129485837

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide (CID 124782763) is N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)c1ccoc1)C2.
What is the InChIKey of N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The InChIKey is JOGRTTZCQVCWSC-WCQYABFASA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-21(17,18)14-7-13-8-15(4-11(13)6-20-9-13)12(16)10-2-3-19-5-10/h2-3,5,11,14H,4,6-9H2,1H3/t11-,13+/m0/s1.
What are the key properties of N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide has a molecular weight of 314.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124782763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).