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

C10H21N3S — CID 106327279

IUPAC2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
SMILESCC(C)/C(N)=N\CCN1CCSCC1
InChIInChI=1S/C10H21N3S/c1-9(2)10(11)12-3-4-13-5-7-14-8-6-13/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyREXQNJIUBGHZIN-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.05
Rot. Bonds4

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

2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide (PubChem CID 106327279) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
PubChem CID106327279
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
SMILESCC(C)/C(N)=N\CCN1CCSCC1
InChIInChI=1S/C10H21N3S/c1-9(2)10(11)12-3-4-13-5-7-14-8-6-13/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyREXQNJIUBGHZIN-UHFFFAOYSA-N
XLogP1.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.05
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 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide (CID 106327279) is 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide is CC(C)/C(N)=N\CCN1CCSCC1.
What is the InChIKey of 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
The InChIKey is REXQNJIUBGHZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-9(2)10(11)12-3-4-13-5-7-14-8-6-13/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide has a molecular weight of 215.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide is sourced from PubChem (CID 106327279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).