(3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C14H20N2O2S — CID 98895085

IUPAC(3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@H]1CN(Cc2ccc(C)s2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C14H20N2O2S/c1-9-3-4-10(19-9)7-16-8-11(14(17)15-2)13-12(16)5-6-18-13/h3-4,11-13H,5-8H2,1-2H3,(H,15,17)/t11-,12+,13+/m0/s1
InChIKeyJYHUQIRDFIHWFD-YNEHKIRRSA-N
MW280.39 g/mol
LogP1.39
Rot. Bonds3

About (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 98895085) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID98895085
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@H]1CN(Cc2ccc(C)s2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C14H20N2O2S/c1-9-3-4-10(19-9)7-16-8-11(14(17)15-2)13-12(16)5-6-18-13/h3-4,11-13H,5-8H2,1-2H3,(H,15,17)/t11-,12+,13+/m0/s1
InChIKeyJYHUQIRDFIHWFD-YNEHKIRRSA-N
XLogP1.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 98895085) is (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is CNC(=O)[C@H]1CN(Cc2ccc(C)s2)[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is JYHUQIRDFIHWFD-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-3-4-10(19-9)7-16-8-11(14(17)15-2)13-12(16)5-6-18-13/h3-4,11-13H,5-8H2,1-2H3,(H,15,17)/t11-,12+,13+/m0/s1.
What are the key properties of (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 98895085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).