1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone

C17H28N2O2S — CID 111107273

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone
SMILESCC(C)(C)CN(CCCO)CC(=O)N1CCc2sccc2C1
InChIInChI=1S/C17H28N2O2S/c1-17(2,3)13-18(7-4-9-20)12-16(21)19-8-5-15-14(11-19)6-10-22-15/h6,10,20H,4-5,7-9,11-13H2,1-3H3
InChIKeyCFCBTFZFJPWETJ-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.36
Rot. Bonds6

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone (PubChem CID 111107273) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone
PubChem CID111107273
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone
SMILESCC(C)(C)CN(CCCO)CC(=O)N1CCc2sccc2C1
InChIInChI=1S/C17H28N2O2S/c1-17(2,3)13-18(7-4-9-20)12-16(21)19-8-5-15-14(11-19)6-10-22-15/h6,10,20H,4-5,7-9,11-13H2,1-3H3
InChIKeyCFCBTFZFJPWETJ-UHFFFAOYSA-N
XLogP2.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62020846
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 60774931
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
CID 62016465
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethanone
CID 51965745
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-oxobutanamide
CID 111543350
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide
CID 18142694
2-[(3-amino-4-methylpentyl)-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 81496619
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide
CID 110002435
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-3-phenylbutan-1-one
CID 110024514
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102636643

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone (CID 111107273) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone is CC(C)(C)CN(CCCO)CC(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone?
The InChIKey is CFCBTFZFJPWETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-17(2,3)13-18(7-4-9-20)12-16(21)19-8-5-15-14(11-19)6-10-22-15/h6,10,20H,4-5,7-9,11-13H2,1-3H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone has a molecular weight of 324.49 g/mol, XLogP of 2.36, 6 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]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone is sourced from PubChem (CID 111107273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).