N-ethoxy-3-methylsulfanylpropan-1-amine

C6H15NOS — CID 79037584

IUPACN-ethoxy-3-methylsulfanylpropan-1-amine
SMILESCCONCCCSC
InChIInChI=1S/C6H15NOS/c1-3-8-7-5-4-6-9-2/h7H,3-6H2,1-2H3
InChIKeySADFPPXQSXQBTJ-UHFFFAOYSA-N
MW149.26 g/mol
LogP1.28
Rot. Bonds6

About N-ethoxy-3-methylsulfanylpropan-1-amine

N-ethoxy-3-methylsulfanylpropan-1-amine (PubChem CID 79037584) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is N-ethoxy-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethoxy-3-methylsulfanylpropan-1-amine
PubChem CID79037584
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC NameN-ethoxy-3-methylsulfanylpropan-1-amine
SMILESCCONCCCSC
InChIInChI=1S/C6H15NOS/c1-3-8-7-5-4-6-9-2/h7H,3-6H2,1-2H3
InChIKeySADFPPXQSXQBTJ-UHFFFAOYSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-3-methylsulfanylpropan-1-amine 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 N-ethoxy-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-ethoxy-3-methylsulfanylpropan-1-amine (CID 79037584) is N-ethoxy-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethoxy-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-ethoxy-3-methylsulfanylpropan-1-amine is CCONCCCSC.
What is the InChIKey of N-ethoxy-3-methylsulfanylpropan-1-amine?
The InChIKey is SADFPPXQSXQBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-3-8-7-5-4-6-9-2/h7H,3-6H2,1-2H3.
What are the key properties of N-ethoxy-3-methylsulfanylpropan-1-amine?
N-ethoxy-3-methylsulfanylpropan-1-amine has a molecular weight of 149.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 79037584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).