2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide

C14H19N3O4S — CID 134690227

IUPAC2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2O1
InChIInChI=1S/C14H19N3O4S/c1-15-14(18)6-11-5-10-8-17(9-13(10)21-11)22(19,20)12-3-2-4-16-7-12/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,15,18)/t10-,11-,13+/m1/s1
InChIKeyXEHNJNKKJCUFFG-WZRBSPASSA-N
MW325.39 g/mol
LogP-0.00
Rot. Bonds4

About 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide

2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide (PubChem CID 134690227) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
PubChem CID134690227
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2O1
InChIInChI=1S/C14H19N3O4S/c1-15-14(18)6-11-5-10-8-17(9-13(10)21-11)22(19,20)12-3-2-4-16-7-12/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,15,18)/t10-,11-,13+/m1/s1
InChIKeyXEHNJNKKJCUFFG-WZRBSPASSA-N
XLogP-0.00
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide 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

2-[(2S,3aS,6aS)-5-(3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486958
N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
2-[(2R,3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(oxan-4-ylmethyl)acetamide
CID 97485890
2-[(2R,3aS,6aS)-5-[(2-methoxy-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 171695415
2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 131691805
N-(2-methylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010289
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46407466
2-[(2S,3aS,6aS)-5-benzyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155850352
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
(5aS,8aS)-4-(2-methoxyethyl)-7-pyridin-3-ylsulfonyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine;2,2,2-trifluoroacetic acid
CID 171694090

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide (CID 134690227) is 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide is CNC(=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2O1.
What is the InChIKey of 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The InChIKey is XEHNJNKKJCUFFG-WZRBSPASSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-15-14(18)6-11-5-10-8-17(9-13(10)21-11)22(19,20)12-3-2-4-16-7-12/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,15,18)/t10-,11-,13+/m1/s1.
What are the key properties of 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide has a molecular weight of 325.39 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide is sourced from PubChem (CID 134690227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).