N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine

C17H22N2O2S — CID 46989995

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCOc1ccc(CN(Cc2ccsc2)CC2CCCO2)cn1
InChIInChI=1S/C17H22N2O2S/c1-20-17-5-4-14(9-18-17)10-19(11-15-6-8-22-13-15)12-16-3-2-7-21-16/h4-6,8-9,13,16H,2-3,7,10-12H2,1H3
InChIKeyCAOSCEKOKKAUPB-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.33
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine

N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46989995) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46989995
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCOc1ccc(CN(Cc2ccsc2)CC2CCCO2)cn1
InChIInChI=1S/C17H22N2O2S/c1-20-17-5-4-14(9-18-17)10-19(11-15-6-8-22-13-15)12-16-3-2-7-21-16/h4-6,8-9,13,16H,2-3,7,10-12H2,1H3
InChIKeyCAOSCEKOKKAUPB-UHFFFAOYSA-N
XLogP3.33
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine 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-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 46989995) is N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine is COc1ccc(CN(Cc2ccsc2)CC2CCCO2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is CAOSCEKOKKAUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-20-17-5-4-14(9-18-17)10-19(11-15-6-8-22-13-15)12-16-3-2-7-21-16/h4-6,8-9,13,16H,2-3,7,10-12H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 318.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46989995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).