2-(3-morpholin-4-ylpropylsulfanyl)ethanamine

C9H20N2OS — CID 18784541

IUPAC2-(3-morpholin-4-ylpropylsulfanyl)ethanamine
SMILESNCCSCCCN1CCOCC1
InChIInChI=1S/C9H20N2OS/c10-2-9-13-8-1-3-11-4-6-12-7-5-11/h1-10H2
InChIKeyLJXTUDVFWVLPEZ-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.40
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine

2-(3-morpholin-4-ylpropylsulfanyl)ethanamine (PubChem CID 18784541) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylsulfanyl)ethanamine
PubChem CID18784541
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-(3-morpholin-4-ylpropylsulfanyl)ethanamine
SMILESNCCSCCCN1CCOCC1
InChIInChI=1S/C9H20N2OS/c10-2-9-13-8-1-3-11-4-6-12-7-5-11/h1-10H2
InChIKeyLJXTUDVFWVLPEZ-UHFFFAOYSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.40
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 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine?
The IUPAC name of 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine (CID 18784541) is 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine is NCCSCCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine?
The InChIKey is LJXTUDVFWVLPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c10-2-9-13-8-1-3-11-4-6-12-7-5-11/h1-10H2.
What are the key properties of 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine?
2-(3-morpholin-4-ylpropylsulfanyl)ethanamine has a molecular weight of 204.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylsulfanyl)ethanamine is sourced from PubChem (CID 18784541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).