N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

C20H30N4OS — CID 111744223

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCC(=O)N1CCc2sccc2C1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C20H30N4OS/c1-21-19(24-11-9-20(15-24)7-3-2-4-8-20)22-13-18(25)23-10-5-17-16(14-23)6-12-26-17/h6,12H,2-5,7-11,13-15H2,1H3,(H,21,22)
InChIKeyFRDAVNIXBGELRQ-UHFFFAOYSA-N
MW374.55 g/mol
LogP2.86
Rot. Bonds2

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111744223) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111744223
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCC(=O)N1CCc2sccc2C1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C20H30N4OS/c1-21-19(24-11-9-20(15-24)7-3-2-4-8-20)22-13-18(25)23-10-5-17-16(14-23)6-12-26-17/h6,12H,2-5,7-11,13-15H2,1H3,(H,21,22)
InChIKeyFRDAVNIXBGELRQ-UHFFFAOYSA-N
XLogP2.86
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733797
1-[[[N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111572129
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methylguanidine
CID 111937141
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111732215
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203892
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18140355
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472462
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171709
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119145369

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (CID 111744223) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCC(=O)N1CCc2sccc2C1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is FRDAVNIXBGELRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-21-19(24-11-9-20(15-24)7-3-2-4-8-20)22-13-18(25)23-10-5-17-16(14-23)6-12-26-17/h6,12H,2-5,7-11,13-15H2,1H3,(H,21,22).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 374.55 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111744223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).