1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

C16H26N2O3S — CID 111799491

IUPAC1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1ccc(S(C)=O)cc1)CC(O)CN1CCOCC1
InChIInChI=1S/C16H26N2O3S/c1-17(11-14-3-5-16(6-4-14)22(2)20)12-15(19)13-18-7-9-21-10-8-18/h3-6,15,19H,7-13H2,1-2H3
InChIKeyJESRUEFAKWUUIG-UHFFFAOYSA-N
MW326.46 g/mol
LogP0.55
Rot. Bonds7

About 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111799491) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111799491
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1ccc(S(C)=O)cc1)CC(O)CN1CCOCC1
InChIInChI=1S/C16H26N2O3S/c1-17(11-14-3-5-16(6-4-14)22(2)20)12-15(19)13-18-7-9-21-10-8-18/h3-6,15,19H,7-13H2,1-2H3
InChIKeyJESRUEFAKWUUIG-UHFFFAOYSA-N
XLogP0.55
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111799496
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916449
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465
1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 3742716
1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916477

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 111799491) is 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is CN(Cc1ccc(S(C)=O)cc1)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is JESRUEFAKWUUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-17(11-14-3-5-16(6-4-14)22(2)20)12-15(19)13-18-7-9-21-10-8-18/h3-6,15,19H,7-13H2,1-2H3.
What are the key properties of 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 326.46 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111799491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).