1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol

C11H23NO2S — CID 2859120

IUPAC1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol
SMILESCCCCSCC(O)CN1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-2-3-8-15-10-11(13)9-12-4-6-14-7-5-12/h11,13H,2-10H2,1H3
InChIKeyJPBPKOOCXVJOMC-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.21
Rot. Bonds7

About 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol

1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 2859120) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol
PubChem CID2859120
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol
SMILESCCCCSCC(O)CN1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-2-3-8-15-10-11(13)9-12-4-6-14-7-5-12/h11,13H,2-10H2,1H3
InChIKeyJPBPKOOCXVJOMC-UHFFFAOYSA-N
XLogP1.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol (CID 2859120) is 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol is CCCCSCC(O)CN1CCOCC1.
What is the InChIKey of 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is JPBPKOOCXVJOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-3-8-15-10-11(13)9-12-4-6-14-7-5-12/h11,13H,2-10H2,1H3.
What are the key properties of 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol?
1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 233.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 2859120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).