N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C16H32IN3OS — CID 109486773

IUPACN,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1(O)CCCCC1)N1CCSC(CC)C1.I
InChIInChI=1S/C16H31N3OS.HI/c1-3-14-12-19(10-11-21-14)15(17-4-2)18-13-16(20)8-6-5-7-9-16;/h14,20H,3-13H2,1-2H3,(H,17,18);1H
InChIKeyDZDKDFQBOMUHDJ-UHFFFAOYSA-N
MW441.42 g/mol
LogP3.09
Rot. Bonds4

About N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109486773) has the molecular formula C16H32IN3OS and a molecular weight of 441.42 g/mol. Its IUPAC name is N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109486773
Molecular FormulaC16H32IN3OS
Molecular Weight441.42 g/mol
Exact Mass441.13
IUPAC NameN,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1(O)CCCCC1)N1CCSC(CC)C1.I
InChIInChI=1S/C16H31N3OS.HI/c1-3-14-12-19(10-11-21-14)15(17-4-2)18-13-16(20)8-6-5-7-9-16;/h14,20H,3-13H2,1-2H3,(H,17,18);1H
InChIKeyDZDKDFQBOMUHDJ-UHFFFAOYSA-N
XLogP3.09
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144259
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 109485909
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994848
N-ethyl-N'-[(1-hydroxycyclobutyl)methyl]pyrrolidine-1-carboximidamide
CID 111546529
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 111210249
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
N,2-diethyl-N'-[2-(hydroxymethyl)-2-methylbutyl]thiomorpholine-4-carboximidamide
CID 109486420
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N,2-diethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487023
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109486773) is N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CC1(O)CCCCC1)N1CCSC(CC)C1.I.
What is the InChIKey of N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is DZDKDFQBOMUHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS.HI/c1-3-14-12-19(10-11-21-14)15(17-4-2)18-13-16(20)8-6-5-7-9-16;/h14,20H,3-13H2,1-2H3,(H,17,18);1H.
What are the key properties of N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 441.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109486773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).