[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone

C15H21NO3S — CID 102934385

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone
SMILESCSCc1cccc(C(=O)N2CC(C)OC(CO)C2)c1
InChIInChI=1S/C15H21NO3S/c1-11-7-16(8-14(9-17)19-11)15(18)13-5-3-4-12(6-13)10-20-2/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyXZSVRXXGHZLNRR-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.77
Rot. Bonds4

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone (PubChem CID 102934385) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone
PubChem CID102934385
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone
SMILESCSCc1cccc(C(=O)N2CC(C)OC(CO)C2)c1
InChIInChI=1S/C15H21NO3S/c1-11-7-16(8-14(9-17)19-11)15(18)13-5-3-4-12(6-13)10-20-2/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyXZSVRXXGHZLNRR-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone 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-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 102932983
4-methyl-1-[3-(methylsulfanylmethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63721525
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-nitrophenyl)methanone
CID 102934573
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 102936157
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone (CID 102934385) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone is CSCc1cccc(C(=O)N2CC(C)OC(CO)C2)c1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone?
The InChIKey is XZSVRXXGHZLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-7-16(8-14(9-17)19-11)15(18)13-5-3-4-12(6-13)10-20-2/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone has a molecular weight of 295.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 102934385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).