3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine

C7H17NOS — CID 61385842

IUPAC3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine
SMILESCNCCCSCCOC
InChIInChI=1S/C7H17NOS/c1-8-4-3-6-10-7-5-9-2/h8H,3-7H2,1-2H3
InChIKeyYAUUSTROCJKSGT-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.98
Rot. Bonds7

About 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine

3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine (PubChem CID 61385842) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine
PubChem CID61385842
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine
SMILESCNCCCSCCOC
InChIInChI=1S/C7H17NOS/c1-8-4-3-6-10-7-5-9-2/h8H,3-7H2,1-2H3
InChIKeyYAUUSTROCJKSGT-UHFFFAOYSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine (CID 61385842) is 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine is CNCCCSCCOC.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine?
The InChIKey is YAUUSTROCJKSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-8-4-3-6-10-7-5-9-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine?
3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine has a molecular weight of 163.29 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)-N-methylpropan-1-amine is sourced from PubChem (CID 61385842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).