(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C16H24N2O2S — CID 114827773

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCc3sccc3C2)C1(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-20-13-9-16(17,15(13,2)3)14(19)18-7-5-12-11(10-18)6-8-21-12/h6,8,13H,4-5,7,9-10,17H2,1-3H3
InChIKeyWDZYZGVHBRBVPQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.17
Rot. Bonds3

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 114827773) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID114827773
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCc3sccc3C2)C1(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-20-13-9-16(17,15(13,2)3)14(19)18-7-5-12-11(10-18)6-8-21-12/h6,8,13H,4-5,7,9-10,17H2,1-3H3
InChIKeyWDZYZGVHBRBVPQ-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
ethyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoate
CID 61498759
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114829358
1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide
CID 55037722
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 120774905
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119700089
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960649
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 119436383

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 114827773) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CCOC1CC(N)(C(=O)N2CCc3sccc3C2)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is WDZYZGVHBRBVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-20-13-9-16(17,15(13,2)3)14(19)18-7-5-12-11(10-18)6-8-21-12/h6,8,13H,4-5,7,9-10,17H2,1-3H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 114827773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).