N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine

C12H18N2OS — CID 170567610

IUPACN-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)SC2CNC2)cc1
InChIInChI=1S/C12H18N2OS/c1-14(16-12-7-13-8-12)9-10-3-5-11(15-2)6-4-10/h3-6,12-13H,7-9H2,1-2H3
InChIKeyZVNYIALCHNMEEJ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.75
Rot. Bonds5

About N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine

N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 170567610) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID170567610
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)SC2CNC2)cc1
InChIInChI=1S/C12H18N2OS/c1-14(16-12-7-13-8-12)9-10-3-5-11(15-2)6-4-10/h3-6,12-13H,7-9H2,1-2H3
InChIKeyZVNYIALCHNMEEJ-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine 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-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine (CID 170567610) is N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)SC2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is ZVNYIALCHNMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14(16-12-7-13-8-12)9-10-3-5-11(15-2)6-4-10/h3-6,12-13H,7-9H2,1-2H3.
What are the key properties of N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 238.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 170567610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).