N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide

C12H25N3S — CID 109486532

IUPACN,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
SMILESCCC/N=C(\NCC)N1CCSC(CC)C1
InChIInChI=1S/C12H25N3S/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyRUHFTGVEVARTNZ-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.19
Rot. Bonds4

About N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide

N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide (PubChem CID 109486532) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
PubChem CID109486532
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC NameN,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
SMILESCCC/N=C(\NCC)N1CCSC(CC)C1
InChIInChI=1S/C12H25N3S/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyRUHFTGVEVARTNZ-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
CID 109485254
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484928
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 109485909
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide
CID 109485712
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
CID 109487070
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide (CID 109486532) is N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide is CCC/N=C(\NCC)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide?
The InChIKey is RUHFTGVEVARTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide?
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide has a molecular weight of 243.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).