(2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine

C12H21N3OS — CID 125422045

IUPAC(2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCCc1nsc(N2C[C@H](CC)OC[C@H]2CC)n1
InChIInChI=1S/C12H21N3OS/c1-4-9-8-16-10(5-2)7-15(9)12-13-11(6-3)14-17-12/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyMSSCETIOHZXUNA-ZJUUUORDSA-N
MW255.39 g/mol
LogP2.49
Rot. Bonds4

About (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine

(2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 125422045) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID125422045
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name(2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCCc1nsc(N2C[C@H](CC)OC[C@H]2CC)n1
InChIInChI=1S/C12H21N3OS/c1-4-9-8-16-10(5-2)7-15(9)12-13-11(6-3)14-17-12/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyMSSCETIOHZXUNA-ZJUUUORDSA-N
XLogP2.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine (CID 125422045) is (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine is CCc1nsc(N2C[C@H](CC)OC[C@H]2CC)n1.
What is the InChIKey of (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is MSSCETIOHZXUNA-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-9-8-16-10(5-2)7-15(9)12-13-11(6-3)14-17-12/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine?
(2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 255.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 125422045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).