N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C13H26IN3OS — CID 119148504

IUPACN'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCOC1CCC(C/N=C(\N)N2CCSCC2)CC1.I
InChIInChI=1S/C13H25N3OS.HI/c1-17-12-4-2-11(3-5-12)10-15-13(14)16-6-8-18-9-7-16;/h11-12H,2-10H2,1H3,(H2,14,15);1H
InChIKeyQKCDMUSTDSPADU-UHFFFAOYSA-N
MW399.34 g/mol
LogP2.17
Rot. Bonds3

About N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 119148504) has the molecular formula C13H26IN3OS and a molecular weight of 399.34 g/mol. Its IUPAC name is N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID119148504
Molecular FormulaC13H26IN3OS
Molecular Weight399.34 g/mol
Exact Mass399.08
IUPAC NameN'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCOC1CCC(C/N=C(\N)N2CCSCC2)CC1.I
InChIInChI=1S/C13H25N3OS.HI/c1-17-12-4-2-11(3-5-12)10-15-13(14)16-6-8-18-9-7-16;/h11-12H,2-10H2,1H3,(H2,14,15);1H
InChIKeyQKCDMUSTDSPADU-UHFFFAOYSA-N
XLogP2.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 52.17
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 119148504) is N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is COC1CCC(C/N=C(\N)N2CCSCC2)CC1.I.
What is the InChIKey of N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is QKCDMUSTDSPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS.HI/c1-17-12-4-2-11(3-5-12)10-15-13(14)16-6-8-18-9-7-16;/h11-12H,2-10H2,1H3,(H2,14,15);1H.
What are the key properties of N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 399.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119148504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).