1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide

C13H16N2O2S2 — CID 71926335

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2SCCc3sccc32)C1
InChIInChI=1S/C13H16N2O2S2/c14-12(16)8-1-4-15(7-8)13(17)11-9-2-5-18-10(9)3-6-19-11/h2,5,8,11H,1,3-4,6-7H2,(H2,14,16)
InChIKeyWYSQEBUATHFRRQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.41
Rot. Bonds2

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 71926335) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID71926335
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2SCCc3sccc32)C1
InChIInChI=1S/C13H16N2O2S2/c14-12(16)8-1-4-15(7-8)13(17)11-9-2-5-18-10(9)3-6-19-11/h2,5,8,11H,1,3-4,6-7H2,(H2,14,16)
InChIKeyWYSQEBUATHFRRQ-UHFFFAOYSA-N
XLogP1.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl]methanone
CID 124574496
3,9-diazabicyclo[4.2.1]nonan-3-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone;hydrochloride
CID 119638907
[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
CID 119520461
[3-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
CID 119596330
[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620372
1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093031
1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one
CID 97095206
(2R)-1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124703037
(3S)-1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695421
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone;hydrochloride
CID 120743377
[(3R)-3-aminopyrrolidin-1-yl]-[(1S)-3,4-dihydro-1H-isothiochromen-1-yl]methanone
CID 124574489
3,4-dihydro-1H-isothiochromen-1-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561335

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide (CID 71926335) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)C2SCCc3sccc32)C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is WYSQEBUATHFRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c14-12(16)8-1-4-15(7-8)13(17)11-9-2-5-18-10(9)3-6-19-11/h2,5,8,11H,1,3-4,6-7H2,(H2,14,16).
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71926335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).