4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide

C15H22N2O2S — CID 64532520

IUPAC4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide
SMILESCC(C)N1CCOC(COc2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C15H22N2O2S/c1-11(2)17-7-8-18-14(9-17)10-19-13-5-3-12(4-6-13)15(16)20/h3-6,11,14H,7-10H2,1-2H3,(H2,16,20)
InChIKeyGWPGIZREKXMNBW-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.81
Rot. Bonds5

About 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide

4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide (PubChem CID 64532520) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide.

Molecular Properties

Compound Name4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide
PubChem CID64532520
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide
SMILESCC(C)N1CCOC(COc2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C15H22N2O2S/c1-11(2)17-7-8-18-14(9-17)10-19-13-5-3-12(4-6-13)15(16)20/h3-6,11,14H,7-10H2,1-2H3,(H2,16,20)
InChIKeyGWPGIZREKXMNBW-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79171418
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine
CID 107396660
1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716334
4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide
CID 107657195
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 116794099
3-bromo-5-[(4-propan-2-ylmorpholin-2-yl)methoxy]aniline
CID 103588191
4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine
CID 116805390

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide?
The IUPAC name of 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide (CID 64532520) is 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide.
What is the SMILES notation for 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide?
The canonical SMILES for 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide is CC(C)N1CCOC(COc2ccc(C(N)=S)cc2)C1.
What is the InChIKey of 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide?
The InChIKey is GWPGIZREKXMNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(2)17-7-8-18-14(9-17)10-19-13-5-3-12(4-6-13)15(16)20/h3-6,11,14H,7-10H2,1-2H3,(H2,16,20).
What are the key properties of 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide?
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide has a molecular weight of 294.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide is sourced from PubChem (CID 64532520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).