N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine

C11H24N2OS — CID 28673002

IUPACN-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine
SMILESCSCCCNCCCN1CCOCC1
InChIInChI=1S/C11H24N2OS/c1-15-11-3-5-12-4-2-6-13-7-9-14-10-8-13/h12H,2-11H2,1H3
InChIKeyDIISYBLBANDSRZ-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.05
Rot. Bonds8

About N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine

N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 28673002) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine
PubChem CID28673002
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine
SMILESCSCCCNCCCN1CCOCC1
InChIInChI=1S/C11H24N2OS/c1-15-11-3-5-12-4-2-6-13-7-9-14-10-8-13/h12H,2-11H2,1H3
InChIKeyDIISYBLBANDSRZ-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.05
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 N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine (CID 28673002) is N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine is CSCCCNCCCN1CCOCC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is DIISYBLBANDSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-15-11-3-5-12-4-2-6-13-7-9-14-10-8-13/h12H,2-11H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine?
N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 232.39 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 28673002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).