N-phenylmorpholine-4-carbothioamide

C11H14N2OS — CID 668271

IUPACN-phenylmorpholine-4-carbothioamide
SMILESS=C(Nc1ccccc1)N1CCOCC1
InChIInChI=1S/C11H14N2OS/c15-11(13-6-8-14-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,15)
InChIKeyPMYMYVBNBAVIRT-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.72
Rot. Bonds1

About N-phenylmorpholine-4-carbothioamide

N-phenylmorpholine-4-carbothioamide (PubChem CID 668271) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-phenylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-phenylmorpholine-4-carbothioamide
PubChem CID668271
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-phenylmorpholine-4-carbothioamide
SMILESS=C(Nc1ccccc1)N1CCOCC1
InChIInChI=1S/C11H14N2OS/c15-11(13-6-8-14-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,15)
InChIKeyPMYMYVBNBAVIRT-UHFFFAOYSA-N
XLogP1.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.72
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-phenylmorpholine-4-carbothioamide?
The IUPAC name of N-phenylmorpholine-4-carbothioamide (CID 668271) is N-phenylmorpholine-4-carbothioamide.
What is the SMILES notation for N-phenylmorpholine-4-carbothioamide?
The canonical SMILES for N-phenylmorpholine-4-carbothioamide is S=C(Nc1ccccc1)N1CCOCC1.
What is the InChIKey of N-phenylmorpholine-4-carbothioamide?
The InChIKey is PMYMYVBNBAVIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c15-11(13-6-8-14-9-7-13)12-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,15).
What are the key properties of N-phenylmorpholine-4-carbothioamide?
N-phenylmorpholine-4-carbothioamide has a molecular weight of 222.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmorpholine-4-carbothioamide is sourced from PubChem (CID 668271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).