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

C11H23N3S — CID 106327282

IUPAC2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
SMILESCC(C)(C)/C(N)=N/CCN1CCSCC1
InChIInChI=1S/C11H23N3S/c1-11(2,3)10(12)13-4-5-14-6-8-15-9-7-14/h4-9H2,1-3H3,(H2,12,13)
InChIKeyGRJZLRMZOWTCPT-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.44
Rot. Bonds3

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

2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide (PubChem CID 106327282) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
PubChem CID106327282
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
SMILESCC(C)(C)/C(N)=N/CCN1CCSCC1
InChIInChI=1S/C11H23N3S/c1-11(2,3)10(12)13-4-5-14-6-8-15-9-7-14/h4-9H2,1-3H3,(H2,12,13)
InChIKeyGRJZLRMZOWTCPT-UHFFFAOYSA-N
XLogP1.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.44
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'}

Analyze 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-thiomorpholin-4-ylethyl)ethanimidamide
CID 103734434
2-methyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
CID 106327279
N'-(2-thiomorpholin-4-ylethyl)propanimidamide
CID 106327280
N'-(2-thiomorpholin-4-ylethyl)butanimidamide
CID 106327281
N'-ethyl-4-methylthiomorpholine-3-carboximidamide
CID 106446008
4-methyl-N'-propylthiomorpholine-3-carboximidamide
CID 106446009
4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide
CID 106446010
N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide
CID 106446012
4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide
CID 106446013

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide (CID 106327282) is 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide is CC(C)(C)/C(N)=N/CCN1CCSCC1.
What is the InChIKey of 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
The InChIKey is GRJZLRMZOWTCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-11(2,3)10(12)13-4-5-14-6-8-15-9-7-14/h4-9H2,1-3H3,(H2,12,13).
What are the key properties of 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide?
2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide has a molecular weight of 229.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide is sourced from PubChem (CID 106327282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).