N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide

C8H18N4S — CID 104882484

IUPACN-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(\NN)N1CCSC(C)C1C
InChIInChI=1S/C8H18N4S/c1-6-7(2)13-5-4-12(6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyKLJMWUZLYORZIM-UHFFFAOYSA-N
MW202.33 g/mol
LogP0.26
Rot. Bonds

About N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide

N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide (PubChem CID 104882484) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide
PubChem CID104882484
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC NameN-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(\NN)N1CCSC(C)C1C
InChIInChI=1S/C8H18N4S/c1-6-7(2)13-5-4-12(6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyKLJMWUZLYORZIM-UHFFFAOYSA-N
XLogP0.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide (CID 104882484) is N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide is C/N=C(\NN)N1CCSC(C)C1C.
What is the InChIKey of N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide?
The InChIKey is KLJMWUZLYORZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S/c1-6-7(2)13-5-4-12(6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide?
N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide has a molecular weight of 202.33 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',2,3-trimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 104882484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).