N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

C21H24N2O2S — CID 46987560

IUPACN-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2ccsc2)Cc2ccc(C3CCCCO3)o2)c1
InChIInChI=1S/C21H24N2O2S/c1-2-10-24-20(5-1)21-7-6-19(25-21)15-23(14-18-8-11-26-16-18)13-17-4-3-9-22-12-17/h3-4,6-9,11-12,16,20H,1-2,5,10,13-15H2
InChIKeyMSWLTVBUGWJMOY-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.18
Rot. Bonds7

About N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46987560) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46987560
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2ccsc2)Cc2ccc(C3CCCCO3)o2)c1
InChIInChI=1S/C21H24N2O2S/c1-2-10-24-20(5-1)21-7-6-19(25-21)15-23(14-18-8-11-26-16-18)13-17-4-3-9-22-12-17/h3-4,6-9,11-12,16,20H,1-2,5,10,13-15H2
InChIKeyMSWLTVBUGWJMOY-UHFFFAOYSA-N
XLogP5.18
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (CID 46987560) is N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is c1cncc(CN(Cc2ccsc2)Cc2ccc(C3CCCCO3)o2)c1.
What is the InChIKey of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is MSWLTVBUGWJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-2-10-24-20(5-1)21-7-6-19(25-21)15-23(14-18-8-11-26-16-18)13-17-4-3-9-22-12-17/h3-4,6-9,11-12,16,20H,1-2,5,10,13-15H2.
What are the key properties of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 368.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46987560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).