N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide

C10H21N3S — CID 106446012

IUPACN'-tert-butyl-4-methylthiomorpholine-3-carboximidamide
SMILESCN1CCSCC1/C(N)=N/C(C)(C)C
InChIInChI=1S/C10H21N3S/c1-10(2,3)12-9(11)8-7-14-6-5-13(8)4/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyWPCHFDXTDLUUDJ-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.19
Rot. Bonds1

About N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide

N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide (PubChem CID 106446012) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-4-methylthiomorpholine-3-carboximidamide
PubChem CID106446012
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC NameN'-tert-butyl-4-methylthiomorpholine-3-carboximidamide
SMILESCN1CCSCC1/C(N)=N/C(C)(C)C
InChIInChI=1S/C10H21N3S/c1-10(2,3)12-9(11)8-7-14-6-5-13(8)4/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyWPCHFDXTDLUUDJ-UHFFFAOYSA-N
XLogP1.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.19
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 N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide 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 N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide?
The IUPAC name of N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide (CID 106446012) is N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide.
What is the SMILES notation for N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide?
The canonical SMILES for N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide is CN1CCSCC1/C(N)=N/C(C)(C)C.
What is the InChIKey of N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide?
The InChIKey is WPCHFDXTDLUUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-10(2,3)12-9(11)8-7-14-6-5-13(8)4/h8H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide?
N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide has a molecular weight of 215.37 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-methylthiomorpholine-3-carboximidamide is sourced from PubChem (CID 106446012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).