1-morpholin-4-yl-2-propylsulfanylethanimine

C9H18N2OS — CID 65134588

IUPAC1-morpholin-4-yl-2-propylsulfanylethanimine
SMILES[H]/N=C(\CSCCC)N1CCOCC1
InChIInChI=1S/C9H18N2OS/c1-2-7-13-8-9(10)11-3-5-12-6-4-11/h10H,2-8H2,1H3/b10-9+
InChIKeyHAEREGSGRKSASI-MDZDMXLPSA-N
MW202.32 g/mol
LogP1.44
Rot. Bonds4

About 1-morpholin-4-yl-2-propylsulfanylethanimine

1-morpholin-4-yl-2-propylsulfanylethanimine (PubChem CID 65134588) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-propylsulfanylethanimine.

Molecular Properties

Compound Name1-morpholin-4-yl-2-propylsulfanylethanimine
PubChem CID65134588
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-morpholin-4-yl-2-propylsulfanylethanimine
SMILES[H]/N=C(\CSCCC)N1CCOCC1
InChIInChI=1S/C9H18N2OS/c1-2-7-13-8-9(10)11-3-5-12-6-4-11/h10H,2-8H2,1H3/b10-9+
InChIKeyHAEREGSGRKSASI-MDZDMXLPSA-N
XLogP1.44
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-morpholin-4-yl-2-propylsulfanylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-propylsulfanylethanimine?
The IUPAC name of 1-morpholin-4-yl-2-propylsulfanylethanimine (CID 65134588) is 1-morpholin-4-yl-2-propylsulfanylethanimine.
What is the SMILES notation for 1-morpholin-4-yl-2-propylsulfanylethanimine?
The canonical SMILES for 1-morpholin-4-yl-2-propylsulfanylethanimine is [H]/N=C(\CSCCC)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-propylsulfanylethanimine?
The InChIKey is HAEREGSGRKSASI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-7-13-8-9(10)11-3-5-12-6-4-11/h10H,2-8H2,1H3/b10-9+.
What are the key properties of 1-morpholin-4-yl-2-propylsulfanylethanimine?
1-morpholin-4-yl-2-propylsulfanylethanimine has a molecular weight of 202.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-propylsulfanylethanimine is sourced from PubChem (CID 65134588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).