4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide

C11H19N3O3S — CID 83101865

IUPAC4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
SMILESCCC(C)(C(=O)N1CCOCC1C(N)=O)C(N)=S
InChIInChI=1S/C11H19N3O3S/c1-3-11(2,9(13)18)10(16)14-4-5-17-6-7(14)8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H2,13,18)
InChIKeyZHEKBAHFUCBCBN-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.60
Rot. Bonds4

About 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide

4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide (PubChem CID 83101865) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
PubChem CID83101865
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
SMILESCCC(C)(C(=O)N1CCOCC1C(N)=O)C(N)=S
InChIInChI=1S/C11H19N3O3S/c1-3-11(2,9(13)18)10(16)14-4-5-17-6-7(14)8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H2,13,18)
InChIKeyZHEKBAHFUCBCBN-UHFFFAOYSA-N
XLogP-0.60
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-(2-carbamothioyl-2-ethylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097118
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide
CID 83102064
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
2-methyl-2-(1,4-oxazepane-4-carbonyl)butanethioamide
CID 114292257
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
2-(3-carbamoylmorpholine-4-carbonyl)-3,3-dimethylbutanoic acid
CID 116537416
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902
2-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylbutanethioamide
CID 113270534
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholine-3-carboxamide
CID 83198470

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide (CID 83101865) is 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide is CCC(C)(C(=O)N1CCOCC1C(N)=O)C(N)=S.
What is the InChIKey of 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide?
The InChIKey is ZHEKBAHFUCBCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-11(2,9(13)18)10(16)14-4-5-17-6-7(14)8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H2,13,18).
What are the key properties of 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide?
4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide has a molecular weight of 273.36 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83101865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).