3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol

C9H19NO2S — CID 79182447

IUPAC3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol
SMILESCN1CCOC(CSCCCO)C1
InChIInChI=1S/C9H19NO2S/c1-10-3-5-12-9(7-10)8-13-6-2-4-11/h9,11H,2-8H2,1H3
InChIKeyNLECESCRCYIHQE-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.43
Rot. Bonds5

About 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol

3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol (PubChem CID 79182447) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol
PubChem CID79182447
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol
SMILESCN1CCOC(CSCCCO)C1
InChIInChI=1S/C9H19NO2S/c1-10-3-5-12-9(7-10)8-13-6-2-4-11/h9,11H,2-8H2,1H3
InChIKeyNLECESCRCYIHQE-UHFFFAOYSA-N
XLogP0.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.43
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

3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
CID 66115449
2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine
CID 79171179
(2S)-2-amino-3-[(4-methylmorpholin-2-yl)methylsulfanyl]propanoic acid
CID 107773505
(4-methylmorpholin-2-yl)methanol;nonane
CID 143690142
(4-methylmorpholin-2-yl)methyl thiocyanate
CID 155418362
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol
CID 107865293
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
2-[(4-methylmorpholin-2-yl)methylamino]propan-1-ol
CID 78945058
2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine
CID 79171551
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol (CID 79182447) is 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol is CN1CCOC(CSCCCO)C1.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol?
The InChIKey is NLECESCRCYIHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-10-3-5-12-9(7-10)8-13-6-2-4-11/h9,11H,2-8H2,1H3.
What are the key properties of 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol?
3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol has a molecular weight of 205.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 79182447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).