N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine

C20H27N3O2S — CID 46999324

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cnc(N2CCOCC2)c(CN(Cc2ccsc2)CC2CCCO2)c1
InChIInChI=1S/C20H27N3O2S/c1-3-18(20(21-6-1)23-7-10-24-11-8-23)14-22(13-17-5-12-26-16-17)15-19-4-2-9-25-19/h1,3,5-6,12,16,19H,2,4,7-11,13-15H2
InChIKeyRVBWHBZLILZLQJ-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.16
Rot. Bonds7

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46999324) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46999324
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cnc(N2CCOCC2)c(CN(Cc2ccsc2)CC2CCCO2)c1
InChIInChI=1S/C20H27N3O2S/c1-3-18(20(21-6-1)23-7-10-24-11-8-23)14-22(13-17-5-12-26-16-17)15-19-4-2-9-25-19/h1,3,5-6,12,16,19H,2,4,7-11,13-15H2
InChIKeyRVBWHBZLILZLQJ-UHFFFAOYSA-N
XLogP3.16
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 46999324) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine is c1cnc(N2CCOCC2)c(CN(Cc2ccsc2)CC2CCCO2)c1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is RVBWHBZLILZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-18(20(21-6-1)23-7-10-24-11-8-23)14-22(13-17-5-12-26-16-17)15-19-4-2-9-25-19/h1,3,5-6,12,16,19H,2,4,7-11,13-15H2.
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 373.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46999324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).