3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide

C15H22N2O3S — CID 43542129

IUPAC3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide
SMILESCC1COCCN1CC(O)COc1cccc(C(N)=S)c1
InChIInChI=1S/C15H22N2O3S/c1-11-9-19-6-5-17(11)8-13(18)10-20-14-4-2-3-12(7-14)15(16)21/h2-4,7,11,13,18H,5-6,8-10H2,1H3,(H2,16,21)
InChIKeyHGVTWNQZFOWFBH-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.78
Rot. Bonds6

About 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide

3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide (PubChem CID 43542129) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide.

Molecular Properties

Compound Name3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide
PubChem CID43542129
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide
SMILESCC1COCCN1CC(O)COc1cccc(C(N)=S)c1
InChIInChI=1S/C15H22N2O3S/c1-11-9-19-6-5-17(11)8-13(18)10-20-14-4-2-3-12(7-14)15(16)21/h2-4,7,11,13,18H,5-6,8-10H2,1H3,(H2,16,21)
InChIKeyHGVTWNQZFOWFBH-UHFFFAOYSA-N
XLogP0.78
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(azepan-1-yl)-2-hydroxypropoxy]benzenecarbothioamide
CID 43290259
1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
CID 43611818
1-[3-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 51077725
4-[2-(3-carbamothioylphenoxy)ethyl]morpholine-3-carboxamide
CID 83098097
3-[2-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propoxy]benzenecarbothioamide
CID 103356216
3-(2,3-dihydroxypropoxy)benzenecarbothioamide
CID 82849718
1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888294
1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888215
1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 111382186
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188
N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43542143
3-[2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]benzenecarbothioamide
CID 43290361

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide?
The IUPAC name of 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide (CID 43542129) is 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide.
What is the SMILES notation for 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide?
The canonical SMILES for 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide is CC1COCCN1CC(O)COc1cccc(C(N)=S)c1.
What is the InChIKey of 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide?
The InChIKey is HGVTWNQZFOWFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-9-19-6-5-17(11)8-13(18)10-20-14-4-2-3-12(7-14)15(16)21/h2-4,7,11,13,18H,5-6,8-10H2,1H3,(H2,16,21).
What are the key properties of 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide?
3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide has a molecular weight of 310.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide is sourced from PubChem (CID 43542129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).