N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C10H20IN3OS — CID 111810423

IUPACN'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1(C/N=C(\N)N2CCSCC2)COC1.I
InChIInChI=1S/C10H19N3OS.HI/c1-10(7-14-8-10)6-12-9(11)13-2-4-15-5-3-13;/h2-8H2,1H3,(H2,11,12);1H
InChIKeyRSOLAHHQYVPPKI-UHFFFAOYSA-N
MW357.26 g/mol
LogP1.00
Rot. Bonds2

About N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111810423) has the molecular formula C10H20IN3OS and a molecular weight of 357.26 g/mol. Its IUPAC name is N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111810423
Molecular FormulaC10H20IN3OS
Molecular Weight357.26 g/mol
Exact Mass357.04
IUPAC NameN'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1(C/N=C(\N)N2CCSCC2)COC1.I
InChIInChI=1S/C10H19N3OS.HI/c1-10(7-14-8-10)6-12-9(11)13-2-4-15-5-3-13;/h2-8H2,1H3,(H2,11,12);1H
InChIKeyRSOLAHHQYVPPKI-UHFFFAOYSA-N
XLogP1.00
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 51.00
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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Related Compounds

N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 75512573
N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110033020
tert-butyl 4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4-methylpiperidine-1-carboxylate
CID 110032114
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide
CID 119164146
N'-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762790
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 130652710

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111810423) is N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is CC1(C/N=C(\N)N2CCSCC2)COC1.I.
What is the InChIKey of N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is RSOLAHHQYVPPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS.HI/c1-10(7-14-8-10)6-12-9(11)13-2-4-15-5-3-13;/h2-8H2,1H3,(H2,11,12);1H.
What are the key properties of N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 357.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111810423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).