N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

C18H37IN4OS — CID 109486269

IUPACN,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)N1CCSC(CC)C1.I
InChIInChI=1S/C18H36N4OS.HI/c1-5-17-14-22(8-10-24-17)18(19-6-2)20-11-16-13-21(7-9-23-16)12-15(3)4;/h15-17H,5-14H2,1-4H3,(H,19,20);1H
InChIKeyKAZWNCOQWJIQHV-UHFFFAOYSA-N
MW484.49 g/mol
LogP2.75
Rot. Bonds6

About N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109486269) has the molecular formula C18H37IN4OS and a molecular weight of 484.49 g/mol. Its IUPAC name is N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109486269
Molecular FormulaC18H37IN4OS
Molecular Weight484.49 g/mol
Exact Mass484.17
IUPAC NameN,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)N1CCSC(CC)C1.I
InChIInChI=1S/C18H36N4OS.HI/c1-5-17-14-22(8-10-24-17)18(19-6-2)20-11-16-13-21(7-9-23-16)12-15(3)4;/h15-17H,5-14H2,1-4H3,(H,19,20);1H
InChIKeyKAZWNCOQWJIQHV-UHFFFAOYSA-N
XLogP2.75
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 52.75
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide
CID 110963591
N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
CID 111735693
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine;hydroiodide
CID 111227826
N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486618
3-ethyl-1,1-dimethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369255
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine
CID 111227827
N,2-diethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487023
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
CID 110982307
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 110958750
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109486269) is N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CC1CN(CC(C)C)CCO1)N1CCSC(CC)C1.I.
What is the InChIKey of N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is KAZWNCOQWJIQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4OS.HI/c1-5-17-14-22(8-10-24-17)18(19-6-2)20-11-16-13-21(7-9-23-16)12-15(3)4;/h15-17H,5-14H2,1-4H3,(H,19,20);1H.
What are the key properties of N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 484.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109486269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).