2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide

C9H17N3O2S — CID 79675024

IUPAC2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
SMILESCCN(C)C(=O)N1CCOC(C(N)=S)C1
InChIInChI=1S/C9H17N3O2S/c1-3-11(2)9(13)12-4-5-14-7(6-12)8(10)15/h7H,3-6H2,1-2H3,(H2,10,15)
InChIKeyMXMWRWHIZNVENU-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.05
Rot. Bonds2

About 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide

2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide (PubChem CID 79675024) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
PubChem CID79675024
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
SMILESCCN(C)C(=O)N1CCOC(C(N)=S)C1
InChIInChI=1S/C9H17N3O2S/c1-3-11(2)9(13)12-4-5-14-7(6-12)8(10)15/h7H,3-6H2,1-2H3,(H2,10,15)
InChIKeyMXMWRWHIZNVENU-UHFFFAOYSA-N
XLogP0.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749
4-(4-methylpentanoyl)morpholine-2-carbothioamide
CID 79674672
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159759
4-(cyclobutanecarbonyl)morpholine-2-carbothioamide
CID 79674396
4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
CID 81061396
2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide
CID 79681745
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79162356
4-pentan-2-ylmorpholine-2-carbothioamide
CID 107895727
2-(2-carbamothioylmorpholin-4-yl)butanoic acid
CID 79681392

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide?
The IUPAC name of 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide (CID 79675024) is 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide?
The canonical SMILES for 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide is CCN(C)C(=O)N1CCOC(C(N)=S)C1.
What is the InChIKey of 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide?
The InChIKey is MXMWRWHIZNVENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-11(2)9(13)12-4-5-14-7(6-12)8(10)15/h7H,3-6H2,1-2H3,(H2,10,15).
What are the key properties of 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide?
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide has a molecular weight of 231.32 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 79675024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).