2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone

C14H19NO3S — CID 64665740

IUPAC2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC(O)c1cccc(SCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19NO3S/c1-11(16)12-3-2-4-13(9-12)19-10-14(17)15-5-7-18-8-6-15/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyOPRMQYCZUPUZCE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.69
Rot. Bonds4

About 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone

2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 64665740) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID64665740
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC(O)c1cccc(SCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19NO3S/c1-11(16)12-3-2-4-13(9-12)19-10-14(17)15-5-7-18-8-6-15/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyOPRMQYCZUPUZCE-UHFFFAOYSA-N
XLogP1.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone 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

2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 64664246
2-(3-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 113430046
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
CID 60652352
2-(3-hydroxyphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 104590537
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
CID 4089685
1-[3-(2-methylidenebutylsulfanyl)phenyl]ethanol
CID 66038314
2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 79143140
1-piperidin-1-yl-2-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylethanone
CID 66348467

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone (CID 64665740) is 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone is CC(O)c1cccc(SCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is OPRMQYCZUPUZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11(16)12-3-2-4-13(9-12)19-10-14(17)15-5-7-18-8-6-15/h2-4,9,11,16H,5-8,10H2,1H3.
What are the key properties of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 281.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 64665740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).