1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol

C10H21NO2S — CID 103595498

IUPAC1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol
SMILESCCCOCC(O)C1CSCCN1C
InChIInChI=1S/C10H21NO2S/c1-3-5-13-7-10(12)9-8-14-6-4-11(9)2/h9-10,12H,3-8H2,1-2H3
InChIKeyUXOSLCFFVRGDAW-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.82
Rot. Bonds5

About 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol

1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol (PubChem CID 103595498) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol
PubChem CID103595498
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol
SMILESCCCOCC(O)C1CSCCN1C
InChIInChI=1S/C10H21NO2S/c1-3-5-13-7-10(12)9-8-14-6-4-11(9)2/h9-10,12H,3-8H2,1-2H3
InChIKeyUXOSLCFFVRGDAW-UHFFFAOYSA-N
XLogP0.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595741
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
1-(4-methylthiomorpholin-3-yl)hex-5-en-1-ol
CID 103595783
2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595628
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595829
1-butoxy-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 107263917
1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol
CID 103595653
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595562
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433
1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
CID 103595725
2-(3-bromo-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595773

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol (CID 103595498) is 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol is CCCOCC(O)C1CSCCN1C.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol?
The InChIKey is UXOSLCFFVRGDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-5-13-7-10(12)9-8-14-6-4-11(9)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol?
1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol has a molecular weight of 219.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol is sourced from PubChem (CID 103595498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).