2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol

C9H20N2O2S — CID 154932103

IUPAC2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol
SMILESCCCN(CCO)SN1CCOCC1
InChIInChI=1S/C9H20N2O2S/c1-2-3-10(4-7-12)14-11-5-8-13-9-6-11/h12H,2-9H2,1H3
InChIKeySZOZBRWLFURXKS-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.59
Rot. Bonds6

About 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol

2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol (PubChem CID 154932103) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol
PubChem CID154932103
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol
SMILESCCCN(CCO)SN1CCOCC1
InChIInChI=1S/C9H20N2O2S/c1-2-3-10(4-7-12)14-11-5-8-13-9-6-11/h12H,2-9H2,1H3
InChIKeySZOZBRWLFURXKS-UHFFFAOYSA-N
XLogP0.59
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol?
The IUPAC name of 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol (CID 154932103) is 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol?
The canonical SMILES for 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol is CCCN(CCO)SN1CCOCC1.
What is the InChIKey of 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol?
The InChIKey is SZOZBRWLFURXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-3-10(4-7-12)14-11-5-8-13-9-6-11/h12H,2-9H2,1H3.
What are the key properties of 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol?
2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol has a molecular weight of 220.34 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[morpholin-4-ylsulfanyl(propyl)amino]ethanol is sourced from PubChem (CID 154932103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).