N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide

C11H20N6S — CID 111822214

IUPACN'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESCCc1nncn1CC/N=C(\N)N1CCSCC1
InChIInChI=1S/C11H20N6S/c1-2-10-15-14-9-17(10)4-3-13-11(12)16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H2,12,13)
InChIKeySCJWULCZGCJIIB-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.20
Rot. Bonds4

About N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide

N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 111822214) has the molecular formula C11H20N6S and a molecular weight of 268.39 g/mol. Its IUPAC name is N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID111822214
Molecular FormulaC11H20N6S
Molecular Weight268.39 g/mol
Exact Mass268.15
IUPAC NameN'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESCCc1nncn1CC/N=C(\N)N1CCSCC1
InChIInChI=1S/C11H20N6S/c1-2-10-15-14-9-17(10)4-3-13-11(12)16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H2,12,13)
InChIKeySCJWULCZGCJIIB-UHFFFAOYSA-N
XLogP0.20
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 111066056
2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109485640
1-butan-2-yl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111492115
N'-[4-(2-methylimidazol-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 111817882
1-cyclopropyl-3-ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111495550
N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111062149
2-butyl-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111701393
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465836
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[3-(N-ethylanilino)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111035180
N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methyl-N-prop-2-enylpiperidine-1-carboximidamide;hydroiodide
CID 136923529

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide (CID 111822214) is N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide is CCc1nncn1CC/N=C(\N)N1CCSCC1.
What is the InChIKey of N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is SCJWULCZGCJIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6S/c1-2-10-15-14-9-17(10)4-3-13-11(12)16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 268.39 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111822214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).