(3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide

C15H22N2O3S2 — CID 94095233

IUPAC(3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide
SMILESC[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCc2sccc2C1
InChIInChI=1S/C15H22N2O3S2/c1-11(17-5-2-14-12(9-17)3-6-21-14)8-16-15(18)13-4-7-22(19,20)10-13/h3,6,11,13H,2,4-5,7-10H2,1H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyGRLOCCWSSFWHDX-YPMHNXCESA-N
MW342.49 g/mol
LogP1.05
Rot. Bonds4

About (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 94095233) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID94095233
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name(3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide
SMILESC[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCc2sccc2C1
InChIInChI=1S/C15H22N2O3S2/c1-11(17-5-2-14-12(9-17)3-6-21-14)8-16-15(18)13-4-7-22(19,20)10-13/h3,6,11,13H,2,4-5,7-10H2,1H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyGRLOCCWSSFWHDX-YPMHNXCESA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 46414041
(7S)-N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97239170
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide
CID 46400310
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454576
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155947567
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46449281
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324
2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210625

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide (CID 94095233) is (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide is C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCc2sccc2C1.
What is the InChIKey of (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is GRLOCCWSSFWHDX-YPMHNXCESA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-11(17-5-2-14-12(9-17)3-6-21-14)8-16-15(18)13-4-7-22(19,20)10-13/h3,6,11,13H,2,4-5,7-10H2,1H3,(H,16,18)/t11-,13+/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 94095233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).