6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile

C18H19N3O2S — CID 124785156

IUPAC6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC[C@@]23COC[C@@H]2CN(Cc2cccs2)C3)nc1
InChIInChI=1S/C18H19N3O2S/c19-6-14-3-4-17(20-7-14)23-13-18-11-21(8-15(18)10-22-12-18)9-16-2-1-5-24-16/h1-5,7,15H,8-13H2/t15-,18+/m0/s1
InChIKeyKOSNSMUVLKEGRN-MAUKXSAKSA-N
MW341.44 g/mol
LogP2.54
Rot. Bonds5

About 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile

6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 124785156) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
PubChem CID124785156
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC[C@@]23COC[C@@H]2CN(Cc2cccs2)C3)nc1
InChIInChI=1S/C18H19N3O2S/c19-6-14-3-4-17(20-7-14)23-13-18-11-21(8-15(18)10-22-12-18)9-16-2-1-5-24-16/h1-5,7,15H,8-13H2/t15-,18+/m0/s1
InChIKeyKOSNSMUVLKEGRN-MAUKXSAKSA-N
XLogP2.54
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
CID 97421345
6-[[(3aR,6aR)-5-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
CID 97474042
(3aS,6aR)-3a-(oxan-4-ylmethoxymethyl)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155846304
N-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
CID 124781236
2-[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97475175
(3aR,6aS)-3a-(oxan-4-ylmethoxymethyl)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124791689
2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124792791
N-[[(3aR,6aR)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155829976
(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 125187202
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814
(3aS,6aS)-3a-(pyridin-3-yloxymethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124911985
6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile
CID 58878931

Frequently Asked Questions

What is the IUPAC name of 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile (CID 124785156) is 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile is N#Cc1ccc(OC[C@@]23COC[C@@H]2CN(Cc2cccs2)C3)nc1.
What is the InChIKey of 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is KOSNSMUVLKEGRN-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H19N3O2S/c19-6-14-3-4-17(20-7-14)23-13-18-11-21(8-15(18)10-22-12-18)9-16-2-1-5-24-16/h1-5,7,15H,8-13H2/t15-,18+/m0/s1.
What are the key properties of 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 341.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 124785156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).