N-ethyl-2,6-dimethylmorpholine-4-carbothioamide

C9H18N2OS — CID 2927468

IUPACN-ethyl-2,6-dimethylmorpholine-4-carbothioamide
SMILESCCNC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C9H18N2OS/c1-4-10-9(13)11-5-7(2)12-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,13)
InChIKeyAKNOKLYPXHYXNV-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.99
Rot. Bonds1

About N-ethyl-2,6-dimethylmorpholine-4-carbothioamide

N-ethyl-2,6-dimethylmorpholine-4-carbothioamide (PubChem CID 2927468) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-ethyl-2,6-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-ethyl-2,6-dimethylmorpholine-4-carbothioamide
PubChem CID2927468
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-ethyl-2,6-dimethylmorpholine-4-carbothioamide
SMILESCCNC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C9H18N2OS/c1-4-10-9(13)11-5-7(2)12-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,13)
InChIKeyAKNOKLYPXHYXNV-UHFFFAOYSA-N
XLogP0.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethylmorpholine-4-carbothioamide?
The IUPAC name of N-ethyl-2,6-dimethylmorpholine-4-carbothioamide (CID 2927468) is N-ethyl-2,6-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for N-ethyl-2,6-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for N-ethyl-2,6-dimethylmorpholine-4-carbothioamide is CCNC(=S)N1CC(C)OC(C)C1.
What is the InChIKey of N-ethyl-2,6-dimethylmorpholine-4-carbothioamide?
The InChIKey is AKNOKLYPXHYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-4-10-9(13)11-5-7(2)12-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,13).
What are the key properties of N-ethyl-2,6-dimethylmorpholine-4-carbothioamide?
N-ethyl-2,6-dimethylmorpholine-4-carbothioamide has a molecular weight of 202.32 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 2927468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).