3-(methoxymethylsulfanyl)propan-1-amine

C5H13NOS — CID 66219789

IUPAC3-(methoxymethylsulfanyl)propan-1-amine
SMILESCOCSCCCN
InChIInChI=1S/C5H13NOS/c1-7-5-8-4-2-3-6/h2-6H2,1H3
InChIKeyRSFGFVQRLWOVSY-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.67
Rot. Bonds5

About 3-(methoxymethylsulfanyl)propan-1-amine

3-(methoxymethylsulfanyl)propan-1-amine (PubChem CID 66219789) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 3-(methoxymethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(methoxymethylsulfanyl)propan-1-amine
PubChem CID66219789
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name3-(methoxymethylsulfanyl)propan-1-amine
SMILESCOCSCCCN
InChIInChI=1S/C5H13NOS/c1-7-5-8-4-2-3-6/h2-6H2,1H3
InChIKeyRSFGFVQRLWOVSY-UHFFFAOYSA-N
XLogP0.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylsulfanyl)propan-1-amine?
The IUPAC name of 3-(methoxymethylsulfanyl)propan-1-amine (CID 66219789) is 3-(methoxymethylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(methoxymethylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(methoxymethylsulfanyl)propan-1-amine is COCSCCCN.
What is the InChIKey of 3-(methoxymethylsulfanyl)propan-1-amine?
The InChIKey is RSFGFVQRLWOVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-7-5-8-4-2-3-6/h2-6H2,1H3.
What are the key properties of 3-(methoxymethylsulfanyl)propan-1-amine?
3-(methoxymethylsulfanyl)propan-1-amine has a molecular weight of 135.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylsulfanyl)propan-1-amine is sourced from PubChem (CID 66219789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).