2-carbamothioyl-N-phenylmorpholine-4-carboxamide

C12H15N3O2S — CID 79675023

IUPAC2-carbamothioyl-N-phenylmorpholine-4-carboxamide
SMILESNC(=S)C1CN(C(=O)Nc2ccccc2)CCO1
InChIInChI=1S/C12H15N3O2S/c13-11(18)10-8-15(6-7-17-10)12(16)14-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,18)(H,14,16)
InChIKeyWRBXARUEDXFCHS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.21
Rot. Bonds2

About 2-carbamothioyl-N-phenylmorpholine-4-carboxamide

2-carbamothioyl-N-phenylmorpholine-4-carboxamide (PubChem CID 79675023) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-carbamothioyl-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-carbamothioyl-N-phenylmorpholine-4-carboxamide
PubChem CID79675023
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-carbamothioyl-N-phenylmorpholine-4-carboxamide
SMILESNC(=S)C1CN(C(=O)Nc2ccccc2)CCO1
InChIInChI=1S/C12H15N3O2S/c13-11(18)10-8-15(6-7-17-10)12(16)14-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,18)(H,14,16)
InChIKeyWRBXARUEDXFCHS-UHFFFAOYSA-N
XLogP1.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-N-(4-chlorophenyl)morpholine-4-carboxamide
CID 79674938
4-(2-iodobenzoyl)morpholine-2-carbothioamide
CID 79674398
N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide
CID 79681361
2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 79675785
4-(cyclobutanecarbonyl)morpholine-2-carbothioamide
CID 79674396
4-(2-fluoro-6-hydroxybenzoyl)morpholine-2-carbothioamide
CID 107014952
4-(benzenesulfonyl)morpholine-2-carbothioamide
CID 79674762
4-(2,3-dihydro-1-benzothiophene-2-carbonyl)morpholine-2-carbothioamide
CID 79674142
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
CID 94371242
4-(3-bromobenzoyl)morpholine-2-carbothioamide
CID 79674488
4-[(2-chlorophenyl)carbamothioyl]morpholine-2-carboxamide
CID 49315389
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-phenylmorpholine-4-carboxamide?
The IUPAC name of 2-carbamothioyl-N-phenylmorpholine-4-carboxamide (CID 79675023) is 2-carbamothioyl-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for 2-carbamothioyl-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for 2-carbamothioyl-N-phenylmorpholine-4-carboxamide is NC(=S)C1CN(C(=O)Nc2ccccc2)CCO1.
What is the InChIKey of 2-carbamothioyl-N-phenylmorpholine-4-carboxamide?
The InChIKey is WRBXARUEDXFCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-11(18)10-8-15(6-7-17-10)12(16)14-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,18)(H,14,16).
What are the key properties of 2-carbamothioyl-N-phenylmorpholine-4-carboxamide?
2-carbamothioyl-N-phenylmorpholine-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 79675023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).