N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide

C11H22IN3O2S — CID 110033020

IUPACN'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1(CC/N=C(\N)N2CCSCC2)OCCO1.I
InChIInChI=1S/C11H21N3O2S.HI/c1-11(15-6-7-16-11)2-3-13-10(12)14-4-8-17-9-5-14;/h2-9H2,1H3,(H2,12,13);1H
InChIKeyZBAPPVGNNSWVQS-UHFFFAOYSA-N
MW387.29 g/mol
LogP1.12
Rot. Bonds3

About N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 110033020) has the molecular formula C11H22IN3O2S and a molecular weight of 387.29 g/mol. Its IUPAC name is N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID110033020
Molecular FormulaC11H22IN3O2S
Molecular Weight387.29 g/mol
Exact Mass387.05
IUPAC NameN'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1(CC/N=C(\N)N2CCSCC2)OCCO1.I
InChIInChI=1S/C11H21N3O2S.HI/c1-11(15-6-7-16-11)2-3-13-10(12)14-4-8-17-9-5-14;/h2-9H2,1H3,(H2,12,13);1H
InChIKeyZBAPPVGNNSWVQS-UHFFFAOYSA-N
XLogP1.12
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 51.12
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

2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide
CID 119120871
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111810423
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111046624
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 75512573
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide
CID 111812180
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 110033020) is N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide is CC1(CC/N=C(\N)N2CCSCC2)OCCO1.I.
What is the InChIKey of N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is ZBAPPVGNNSWVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S.HI/c1-11(15-6-7-16-11)2-3-13-10(12)14-4-8-17-9-5-14;/h2-9H2,1H3,(H2,12,13);1H.
What are the key properties of N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 387.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110033020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).