N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide

C12H26IN3O2S — CID 120661691

IUPACN'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCS(=O)C(C)(C)C)CCO1.I
InChIInChI=1S/C12H25N3O2S.HI/c1-10-9-15(6-7-17-10)11(13)14-5-8-18(16)12(2,3)4;/h10H,5-9H2,1-4H3,(H2,13,14);1H
InChIKeyBWTQLZPLDQEREK-UHFFFAOYSA-N
MW403.33 g/mol
LogP1.19
Rot. Bonds3

About N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120661691) has the molecular formula C12H26IN3O2S and a molecular weight of 403.33 g/mol. Its IUPAC name is N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120661691
Molecular FormulaC12H26IN3O2S
Molecular Weight403.33 g/mol
Exact Mass403.08
IUPAC NameN'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCS(=O)C(C)(C)C)CCO1.I
InChIInChI=1S/C12H25N3O2S.HI/c1-10-9-15(6-7-17-10)11(13)14-5-8-18(16)12(2,3)4;/h10H,5-9H2,1-4H3,(H2,13,14);1H
InChIKeyBWTQLZPLDQEREK-UHFFFAOYSA-N
XLogP1.19
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 51.19
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'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661867
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661743

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120661691) is N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CCS(=O)C(C)(C)C)CCO1.I.
What is the InChIKey of N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is BWTQLZPLDQEREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.HI/c1-10-9-15(6-7-17-10)11(13)14-5-8-18(16)12(2,3)4;/h10H,5-9H2,1-4H3,(H2,13,14);1H.
What are the key properties of N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 403.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).