2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide

C12H17N3S — CID 81278736

IUPAC2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCSCC2)cc1C
InChIInChI=1S/C12H17N3S/c1-9-8-10(2-3-11(9)12(13)14)15-4-6-16-7-5-15/h2-3,8H,4-7H2,1H3,(H3,13,14)
InChIKeyUSDGZRXLEGRUAR-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.83
Rot. Bonds2

About 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide

2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide (PubChem CID 81278736) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
PubChem CID81278736
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCSCC2)cc1C
InChIInChI=1S/C12H17N3S/c1-9-8-10(2-3-11(9)12(13)14)15-4-6-16-7-5-15/h2-3,8H,4-7H2,1H3,(H3,13,14)
InChIKeyUSDGZRXLEGRUAR-UHFFFAOYSA-N
XLogP1.83
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
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-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide?
The IUPAC name of 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide (CID 81278736) is 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide?
The canonical SMILES for 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCSCC2)cc1C.
What is the InChIKey of 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide?
The InChIKey is USDGZRXLEGRUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-8-10(2-3-11(9)12(13)14)15-4-6-16-7-5-15/h2-3,8H,4-7H2,1H3,(H3,13,14).
What are the key properties of 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide?
2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide has a molecular weight of 235.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide is sourced from PubChem (CID 81278736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).