N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide

C12H25N3S2 — CID 119148422

IUPACN'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide
SMILESCCC(CC)(C/N=C(\N)N1CCSCC1)SC
InChIInChI=1S/C12H25N3S2/c1-4-12(5-2,16-3)10-14-11(13)15-6-8-17-9-7-15/h4-10H2,1-3H3,(H2,13,14)
InChIKeyBAJIUOCRVWXRRI-UHFFFAOYSA-N
MW275.49 g/mol
LogP2.27
Rot. Bonds5

About N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide

N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide (PubChem CID 119148422) has the molecular formula C12H25N3S2 and a molecular weight of 275.49 g/mol. Its IUPAC name is N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide
PubChem CID119148422
Molecular FormulaC12H25N3S2
Molecular Weight275.49 g/mol
Exact Mass275.15
IUPAC NameN'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide
SMILESCCC(CC)(C/N=C(\N)N1CCSCC1)SC
InChIInChI=1S/C12H25N3S2/c1-4-12(5-2,16-3)10-14-11(13)15-6-8-17-9-7-15/h4-10H2,1-3H3,(H2,13,14)
InChIKeyBAJIUOCRVWXRRI-UHFFFAOYSA-N
XLogP2.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.49
LogP ≤ 52.27
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'}

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Related Compounds

N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661776
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-(2,2-dimethyl-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 111815528
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[(2-ethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111817688
N'-(2-ethylhexyl)thiomorpholine-4-carboximidamide
CID 111022524
N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide
CID 111042922
N'-[2-(4-bromophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111070123
N'-(3-ethyl-2-pyrrolidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111042220
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide (CID 119148422) is N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide is CCC(CC)(C/N=C(\N)N1CCSCC1)SC.
What is the InChIKey of N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide?
The InChIKey is BAJIUOCRVWXRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S2/c1-4-12(5-2,16-3)10-14-11(13)15-6-8-17-9-7-15/h4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide?
N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide has a molecular weight of 275.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 119148422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).