N'-ethyl-4-methylthiomorpholine-3-carboximidamide

C8H17N3S — CID 106446008

IUPACN'-ethyl-4-methylthiomorpholine-3-carboximidamide
SMILESCC/N=C(\N)C1CSCCN1C
InChIInChI=1S/C8H17N3S/c1-3-10-8(9)7-6-12-5-4-11(7)2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeySETYEOBRHUBLSM-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.41
Rot. Bonds2

About N'-ethyl-4-methylthiomorpholine-3-carboximidamide

N'-ethyl-4-methylthiomorpholine-3-carboximidamide (PubChem CID 106446008) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is N'-ethyl-4-methylthiomorpholine-3-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-methylthiomorpholine-3-carboximidamide
PubChem CID106446008
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC NameN'-ethyl-4-methylthiomorpholine-3-carboximidamide
SMILESCC/N=C(\N)C1CSCCN1C
InChIInChI=1S/C8H17N3S/c1-3-10-8(9)7-6-12-5-4-11(7)2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeySETYEOBRHUBLSM-UHFFFAOYSA-N
XLogP0.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.41
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-methylthiomorpholine-3-carboximidamide?
The IUPAC name of N'-ethyl-4-methylthiomorpholine-3-carboximidamide (CID 106446008) is N'-ethyl-4-methylthiomorpholine-3-carboximidamide.
What is the SMILES notation for N'-ethyl-4-methylthiomorpholine-3-carboximidamide?
The canonical SMILES for N'-ethyl-4-methylthiomorpholine-3-carboximidamide is CC/N=C(\N)C1CSCCN1C.
What is the InChIKey of N'-ethyl-4-methylthiomorpholine-3-carboximidamide?
The InChIKey is SETYEOBRHUBLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-3-10-8(9)7-6-12-5-4-11(7)2/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-ethyl-4-methylthiomorpholine-3-carboximidamide?
N'-ethyl-4-methylthiomorpholine-3-carboximidamide has a molecular weight of 187.31 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-methylthiomorpholine-3-carboximidamide is sourced from PubChem (CID 106446008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).