N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide

C11H21N3S — CID 109488612

IUPACN',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide
SMILESC=CCN/C(=N\C)N1CCSC(C)(C)C1
InChIInChI=1S/C11H21N3S/c1-5-6-13-10(12-4)14-7-8-15-11(2,3)9-14/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKeyDLGJMUAHWRUJNG-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.58
Rot. Bonds2

About N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide

N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide (PubChem CID 109488612) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide
PubChem CID109488612
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide
SMILESC=CCN/C(=N\C)N1CCSC(C)(C)C1
InChIInChI=1S/C11H21N3S/c1-5-6-13-10(12-4)14-7-8-15-11(2,3)9-14/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKeyDLGJMUAHWRUJNG-UHFFFAOYSA-N
XLogP1.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487450
N-(3-fluoropropyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489790
N',2,2-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489734
N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489849
N-(2-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453
methyl 3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propanoate
CID 109487837
N-[7-(dimethylamino)heptyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489551
N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488258
N-ethyl-2,2-dimethyl-N'-(2-prop-2-enylsulfanylethyl)thiomorpholine-4-carboximidamide
CID 109487835
N',2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboximidamide
CID 109489411
N',2,2-trimethyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489910
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489262

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide?
The IUPAC name of N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide (CID 109488612) is N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide?
The canonical SMILES for N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide is C=CCN/C(=N\C)N1CCSC(C)(C)C1.
What is the InChIKey of N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide?
The InChIKey is DLGJMUAHWRUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-13-10(12-4)14-7-8-15-11(2,3)9-14/h5H,1,6-9H2,2-4H3,(H,12,13).
What are the key properties of N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide?
N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide has a molecular weight of 227.38 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109488612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).