N'-(2-thiomorpholin-4-ylethyl)ethanimidamide

C8H17N3S — CID 103734434

IUPACN'-(2-thiomorpholin-4-ylethyl)ethanimidamide
SMILESC/C(N)=N\CCN1CCSCC1
InChIInChI=1S/C8H17N3S/c1-8(9)10-2-3-11-4-6-12-7-5-11/h2-7H2,1H3,(H2,9,10)
InChIKeyHUQZSMDZUPRJEJ-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.41
Rot. Bonds3

About N'-(2-thiomorpholin-4-ylethyl)ethanimidamide

N'-(2-thiomorpholin-4-ylethyl)ethanimidamide (PubChem CID 103734434) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is N'-(2-thiomorpholin-4-ylethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-thiomorpholin-4-ylethyl)ethanimidamide
PubChem CID103734434
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC NameN'-(2-thiomorpholin-4-ylethyl)ethanimidamide
SMILESC/C(N)=N\CCN1CCSCC1
InChIInChI=1S/C8H17N3S/c1-8(9)10-2-3-11-4-6-12-7-5-11/h2-7H2,1H3,(H2,9,10)
InChIKeyHUQZSMDZUPRJEJ-UHFFFAOYSA-N
XLogP0.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.41
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-thiomorpholin-4-ylethyl)ethanimidamide?
The IUPAC name of N'-(2-thiomorpholin-4-ylethyl)ethanimidamide (CID 103734434) is N'-(2-thiomorpholin-4-ylethyl)ethanimidamide.
What is the SMILES notation for N'-(2-thiomorpholin-4-ylethyl)ethanimidamide?
The canonical SMILES for N'-(2-thiomorpholin-4-ylethyl)ethanimidamide is C/C(N)=N\CCN1CCSCC1.
What is the InChIKey of N'-(2-thiomorpholin-4-ylethyl)ethanimidamide?
The InChIKey is HUQZSMDZUPRJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-8(9)10-2-3-11-4-6-12-7-5-11/h2-7H2,1H3,(H2,9,10).
What are the key properties of N'-(2-thiomorpholin-4-ylethyl)ethanimidamide?
N'-(2-thiomorpholin-4-ylethyl)ethanimidamide has a molecular weight of 187.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-thiomorpholin-4-ylethyl)ethanimidamide is sourced from PubChem (CID 103734434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).