(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C16H23N3O2S — CID 94058436

IUPAC(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C16H23N3O2S/c1-2-13-11-7-10-22-14(11)6-9-19(13)16(21)18-12-5-3-4-8-17-15(12)20/h7,10,12-13H,2-6,8-9H2,1H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyJJWWMMZHNGBMIA-STQMWFEESA-N
MW321.45 g/mol
LogP2.44
Rot. Bonds2

About (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 94058436) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID94058436
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C16H23N3O2S/c1-2-13-11-7-10-22-14(11)6-9-19(13)16(21)18-12-5-3-4-8-17-15(12)20/h7,10,12-13H,2-6,8-9H2,1H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyJJWWMMZHNGBMIA-STQMWFEESA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]piperidine-1-carboxylate
CID 86842349
(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 124616346
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83072040
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121981
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone
CID 81130003
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63143886
(2-aminocyclohexyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 64822421
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
4-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47760186
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55473205
(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94121250
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51118263

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 94058436) is (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is JJWWMMZHNGBMIA-STQMWFEESA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-2-13-11-7-10-22-14(11)6-9-19(13)16(21)18-12-5-3-4-8-17-15(12)20/h7,10,12-13H,2-6,8-9H2,1H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1.
What are the key properties of (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 94058436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).