(3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C13H16N2O3S — CID 124802151

IUPAC(3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@@H]12
InChIInChI=1S/C13H16N2O3S/c1-14-12(16)8-7-15(9-4-5-18-11(8)9)13(17)10-3-2-6-19-10/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,14,16)/t8-,9+,11+/m1/s1
InChIKeyNTBSTFZZYSWBJD-YWVKMMECSA-N
MW280.35 g/mol
LogP0.72
Rot. Bonds2

About (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 124802151) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID124802151
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@@H]12
InChIInChI=1S/C13H16N2O3S/c1-14-12(16)8-7-15(9-4-5-18-11(8)9)13(17)10-3-2-6-19-10/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,14,16)/t8-,9+,11+/m1/s1
InChIKeyNTBSTFZZYSWBJD-YWVKMMECSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,3aR,7aS)-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-thiophen-2-ylmethanone
CID 124788976
(3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 124804647
[(3R,3aR,7aS)-3-(pyridin-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-thiophen-2-ylmethanone
CID 97422975
[(3R,3aS,7aR)-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-thiophen-2-ylmethanone
CID 97388347
[(3aR,6S,7aR)-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97380385
[(4aS,7R,7aR)-7-(cyclopropylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-thiophen-2-ylmethanone
CID 97365418
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[(4aS,7R,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-thiophen-2-ylmethanone
CID 97365692
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399

Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 124802151) is (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@@H]12.
What is the InChIKey of (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is NTBSTFZZYSWBJD-YWVKMMECSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-14-12(16)8-7-15(9-4-5-18-11(8)9)13(17)10-3-2-6-19-10/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,14,16)/t8-,9+,11+/m1/s1.
What are the key properties of (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aS)-N-methyl-4-(thiophene-2-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 124802151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).