(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine

C16H24N4O2S — CID 95757664

IUPAC(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESCCc1nc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)no1
InChIInChI=1S/C16H24N4O2S/c1-3-16-17-15(18-22-16)12-19(2)11-13(14-5-4-10-23-14)20-6-8-21-9-7-20/h4-5,10,13H,3,6-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyFYVVMSLZIVRFAC-ZDUSSCGKSA-N
MW336.46 g/mol
LogP2.20
Rot. Bonds7

About (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine

(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine (PubChem CID 95757664) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine
PubChem CID95757664
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESCCc1nc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)no1
InChIInChI=1S/C16H24N4O2S/c1-3-16-17-15(18-22-16)12-19(2)11-13(14-5-4-10-23-14)20-6-8-21-9-7-20/h4-5,10,13H,3,6-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyFYVVMSLZIVRFAC-ZDUSSCGKSA-N
XLogP2.20
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine (CID 95757664) is (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine is CCc1nc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)no1.
What is the InChIKey of (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The InChIKey is FYVVMSLZIVRFAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-16-17-15(18-22-16)12-19(2)11-13(14-5-4-10-23-14)20-6-8-21-9-7-20/h4-5,10,13H,3,6-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine has a molecular weight of 336.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 95757664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).