2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide

C11H20IN3OS — CID 120661743

IUPAC2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide
SMILESC#CCSCC/N=C(\N)N1CCOC(C)C1.I
InChIInChI=1S/C11H19N3OS.HI/c1-3-7-16-8-4-13-11(12)14-5-6-15-10(2)9-14;/h1,10H,4-9H2,2H3,(H2,12,13);1H
InChIKeyUOBVZLDKMYTXRF-UHFFFAOYSA-N
MW369.27 g/mol
LogP1.01
Rot. Bonds4

About 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661743) has the molecular formula C11H20IN3OS and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID120661743
Molecular FormulaC11H20IN3OS
Molecular Weight369.27 g/mol
Exact Mass369.04
IUPAC Name2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide
SMILESC#CCSCC/N=C(\N)N1CCOC(C)C1.I
InChIInChI=1S/C11H19N3OS.HI/c1-3-7-16-8-4-13-11(12)14-5-6-15-10(2)9-14;/h1,10H,4-9H2,2H3,(H2,12,13);1H
InChIKeyUOBVZLDKMYTXRF-UHFFFAOYSA-N
XLogP1.01
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661867
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide (CID 120661743) is 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide is C#CCSCC/N=C(\N)N1CCOC(C)C1.I.
What is the InChIKey of 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is UOBVZLDKMYTXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.HI/c1-3-7-16-8-4-13-11(12)14-5-6-15-10(2)9-14;/h1,10H,4-9H2,2H3,(H2,12,13);1H.
What are the key properties of 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 369.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).