N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine

C8H19NOS — CID 87781652

IUPACN-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine
SMILESCCC(NCCCOC)SC
InChIInChI=1S/C8H19NOS/c1-4-8(11-3)9-6-5-7-10-2/h8-9H,4-7H2,1-3H3
InChIKeyFKLATRFFDMICEU-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.71
Rot. Bonds7

About N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine

N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine (PubChem CID 87781652) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine
PubChem CID87781652
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine
SMILESCCC(NCCCOC)SC
InChIInChI=1S/C8H19NOS/c1-4-8(11-3)9-6-5-7-10-2/h8-9H,4-7H2,1-3H3
InChIKeyFKLATRFFDMICEU-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.71
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'}

Analyze N-(3-methoxypropyl)-1-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-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine (CID 87781652) is N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine is CCC(NCCCOC)SC.
What is the InChIKey of N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine?
The InChIKey is FKLATRFFDMICEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-4-8(11-3)9-6-5-7-10-2/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine?
N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine has a molecular weight of 177.31 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methylsulfanylpropan-1-amine is sourced from PubChem (CID 87781652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).