6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C17H24N2O2S — CID 95286891

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C17H24N2O2S/c1-18-7-2-4-13(18)14-5-3-8-19(14)17(20)16-10-12-11-21-9-6-15(12)22-16/h10,13-14H,2-9,11H2,1H3/t13-,14-/m0/s1
InChIKeyIGMLRLKPKYAZHI-KBPBESRZSA-N
MW320.46 g/mol
LogP2.52
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95286891) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95286891
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C17H24N2O2S/c1-18-7-2-4-13(18)14-5-3-8-19(14)17(20)16-10-12-11-21-9-6-15(12)22-16/h10,13-14H,2-9,11H2,1H3/t13-,14-/m0/s1
InChIKeyIGMLRLKPKYAZHI-KBPBESRZSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone
CID 82511811
N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119453037
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 122147908
1,3-dihydro-2-benzofuran-5-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95342094
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 120658273
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95606658
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 138996013
(2R,3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114768
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 126799361
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
CID 86887989

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95286891) is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is IGMLRLKPKYAZHI-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-18-7-2-4-13(18)14-5-3-8-19(14)17(20)16-10-12-11-21-9-6-15(12)22-16/h10,13-14H,2-9,11H2,1H3/t13-,14-/m0/s1.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 320.46 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95286891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).