N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide

C18H30N4S2 — CID 109487925

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(/NCC(C)N1CCc2sccc2C1)N1CCSC(C)(C)C1
InChIInChI=1S/C18H30N4S2/c1-14(21-7-5-16-15(12-21)6-9-23-16)11-20-17(19-4)22-8-10-24-18(2,3)13-22/h6,9,14H,5,7-8,10-13H2,1-4H3,(H,19,20)
InChIKeyIPRNKILFPNIFFG-UHFFFAOYSA-N
MW366.60 g/mol
LogP2.90
Rot. Bonds3

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide (PubChem CID 109487925) has the molecular formula C18H30N4S2 and a molecular weight of 366.60 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
PubChem CID109487925
Molecular FormulaC18H30N4S2
Molecular Weight366.60 g/mol
Exact Mass366.19
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(/NCC(C)N1CCc2sccc2C1)N1CCSC(C)(C)C1
InChIInChI=1S/C18H30N4S2/c1-14(21-7-5-16-15(12-21)6-9-23-16)11-20-17(19-4)22-8-10-24-18(2,3)13-22/h6,9,14H,5,7-8,10-13H2,1-4H3,(H,19,20)
InChIKeyIPRNKILFPNIFFG-UHFFFAOYSA-N
XLogP2.90
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210625
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489262
ethyl 4-[N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164307
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144024
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-propan-2-ylguanidine
CID 111126538
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726723
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111745517
N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109487509
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111343775
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111930866
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433312
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258270

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide (CID 109487925) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide is C/N=C(/NCC(C)N1CCc2sccc2C1)N1CCSC(C)(C)C1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The InChIKey is IPRNKILFPNIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S2/c1-14(21-7-5-16-15(12-21)6-9-23-16)11-20-17(19-4)22-8-10-24-18(2,3)13-22/h6,9,14H,5,7-8,10-13H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide has a molecular weight of 366.60 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109487925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).