[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol

C14H21NO2S — CID 81219773

IUPAC[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCSc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-12-11-17-13(10-16)9-15(12)7-8-18-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3
InChIKeyOSVFLVWJJDPVBI-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.86
Rot. Bonds5

About [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol

[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol (PubChem CID 81219773) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol
PubChem CID81219773
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCSc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-12-11-17-13(10-16)9-15(12)7-8-18-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3
InChIKeyOSVFLVWJJDPVBI-UHFFFAOYSA-N
XLogP1.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
CID 97153592
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
1-(2-bromophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81212923
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
[4-[2-[4-(aminomethyl)phenoxy]ethyl]-5-methylmorpholin-2-yl]methanol
CID 81203796
N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81193569
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 81212826
[4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol
CID 81219212

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol (CID 81219773) is [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol is CC1COC(CO)CN1CCSc1ccccc1.
What is the InChIKey of [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol?
The InChIKey is OSVFLVWJJDPVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-11-17-13(10-16)9-15(12)7-8-18-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3.
What are the key properties of [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol?
[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol has a molecular weight of 267.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 81219773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).