4-morpholin-4-ylbenzenecarbothioamide

C11H14N2OS — CID 2795360

IUPAC4-morpholin-4-ylbenzenecarbothioamide
SMILESNC(=S)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H14N2OS/c12-11(15)9-1-3-10(4-2-9)13-5-7-14-8-6-13/h1-4H,5-8H2,(H2,12,15)
InChIKeyKOPFTYFPHHZQCH-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.16
Rot. Bonds2

About 4-morpholin-4-ylbenzenecarbothioamide

4-morpholin-4-ylbenzenecarbothioamide (PubChem CID 2795360) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-morpholin-4-ylbenzenecarbothioamide.

Molecular Properties

Compound Name4-morpholin-4-ylbenzenecarbothioamide
PubChem CID2795360
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-morpholin-4-ylbenzenecarbothioamide
SMILESNC(=S)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H14N2OS/c12-11(15)9-1-3-10(4-2-9)13-5-7-14-8-6-13/h1-4H,5-8H2,(H2,12,15)
InChIKeyKOPFTYFPHHZQCH-UHFFFAOYSA-N
XLogP1.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.16
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

4-(1,4-oxazepan-4-yl)benzenecarbothioamide
CID 62974018
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
4-[4-(1-fluoroethenyl)phenyl]morpholine
CID 125492138
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarbothioamide
CID 102743930
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarbothioamide
CID 66369887
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
4-(3-ethylmorpholin-4-yl)benzenecarbothioamide
CID 43613424
3-bromo-4-(1,4-oxazepan-4-yl)benzenecarbothioamide
CID 82805205
2-(4-morpholin-4-ylphenyl)prop-2-en-1-ol
CID 118140853

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbenzenecarbothioamide?
The IUPAC name of 4-morpholin-4-ylbenzenecarbothioamide (CID 2795360) is 4-morpholin-4-ylbenzenecarbothioamide.
What is the SMILES notation for 4-morpholin-4-ylbenzenecarbothioamide?
The canonical SMILES for 4-morpholin-4-ylbenzenecarbothioamide is NC(=S)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylbenzenecarbothioamide?
The InChIKey is KOPFTYFPHHZQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c12-11(15)9-1-3-10(4-2-9)13-5-7-14-8-6-13/h1-4H,5-8H2,(H2,12,15).
What are the key properties of 4-morpholin-4-ylbenzenecarbothioamide?
4-morpholin-4-ylbenzenecarbothioamide has a molecular weight of 222.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbenzenecarbothioamide is sourced from PubChem (CID 2795360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).