N-amino-N',3-dimethylthiomorpholine-4-carboximidamide

C7H16N4S — CID 104882250

IUPACN-amino-N',3-dimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(\NN)N1CCSCC1C
InChIInChI=1S/C7H16N4S/c1-6-5-12-4-3-11(6)7(9-2)10-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyMBMALUJQCOPEOE-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.13
Rot. Bonds

About N-amino-N',3-dimethylthiomorpholine-4-carboximidamide

N-amino-N',3-dimethylthiomorpholine-4-carboximidamide (PubChem CID 104882250) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is N-amino-N',3-dimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N',3-dimethylthiomorpholine-4-carboximidamide
PubChem CID104882250
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC NameN-amino-N',3-dimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(\NN)N1CCSCC1C
InChIInChI=1S/C7H16N4S/c1-6-5-12-4-3-11(6)7(9-2)10-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyMBMALUJQCOPEOE-UHFFFAOYSA-N
XLogP-0.13
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.13
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',3-dimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-amino-N',3-dimethylthiomorpholine-4-carboximidamide (CID 104882250) is N-amino-N',3-dimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N',3-dimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N',3-dimethylthiomorpholine-4-carboximidamide is C/N=C(\NN)N1CCSCC1C.
What is the InChIKey of N-amino-N',3-dimethylthiomorpholine-4-carboximidamide?
The InChIKey is MBMALUJQCOPEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c1-6-5-12-4-3-11(6)7(9-2)10-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of N-amino-N',3-dimethylthiomorpholine-4-carboximidamide?
N-amino-N',3-dimethylthiomorpholine-4-carboximidamide has a molecular weight of 188.30 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',3-dimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 104882250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).