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

C9H19N3S — CID 106327280

IUPACN'-(2-thiomorpholin-4-ylethyl)propanimidamide
SMILESCC/C(N)=N\CCN1CCSCC1
InChIInChI=1S/C9H19N3S/c1-2-9(10)11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11)
InChIKeyAHJWJGFBPNEQBX-UHFFFAOYSA-N
MW201.34 g/mol
LogP0.80
Rot. Bonds4

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

N'-(2-thiomorpholin-4-ylethyl)propanimidamide (PubChem CID 106327280) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is N'-(2-thiomorpholin-4-ylethyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-thiomorpholin-4-ylethyl)propanimidamide
PubChem CID106327280
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC NameN'-(2-thiomorpholin-4-ylethyl)propanimidamide
SMILESCC/C(N)=N\CCN1CCSCC1
InChIInChI=1S/C9H19N3S/c1-2-9(10)11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11)
InChIKeyAHJWJGFBPNEQBX-UHFFFAOYSA-N
XLogP0.80
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 50.80
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)propanimidamide?
The IUPAC name of N'-(2-thiomorpholin-4-ylethyl)propanimidamide (CID 106327280) is N'-(2-thiomorpholin-4-ylethyl)propanimidamide.
What is the SMILES notation for N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
The canonical SMILES for N'-(2-thiomorpholin-4-ylethyl)propanimidamide is CC/C(N)=N\CCN1CCSCC1.
What is the InChIKey of N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
The InChIKey is AHJWJGFBPNEQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-2-9(10)11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11).
What are the key properties of N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
N'-(2-thiomorpholin-4-ylethyl)propanimidamide has a molecular weight of 201.34 g/mol, XLogP of 0.80, 4 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)propanimidamide is sourced from PubChem (CID 106327280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).