N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide

C14H23N3S2 — CID 109485860

IUPACN,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1cccs1)N1CCSC(CC)C1
InChIInChI=1S/C14H23N3S2/c1-3-12-11-17(7-9-19-12)14(15-4-2)16-10-13-6-5-8-18-13/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,15,16)
InChIKeyACQZSAMWGQBFNP-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.04
Rot. Bonds4

About N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide

N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide (PubChem CID 109485860) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
PubChem CID109485860
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC NameN,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1cccs1)N1CCSC(CC)C1
InChIInChI=1S/C14H23N3S2/c1-3-12-11-17(7-9-19-12)14(15-4-2)16-10-13-6-5-8-18-13/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,15,16)
InChIKeyACQZSAMWGQBFNP-UHFFFAOYSA-N
XLogP3.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.04
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'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N,2-diethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486174
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486056
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484776
N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955756
N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485519
N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 109484666
N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111209931
N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485344
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide (CID 109485860) is N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide is CCN/C(=N\Cc1cccs1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide?
The InChIKey is ACQZSAMWGQBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-3-12-11-17(7-9-19-12)14(15-4-2)16-10-13-6-5-8-18-13/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,15,16).
What are the key properties of N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide has a molecular weight of 297.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).