N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine

C10H17N3OS — CID 106325045

IUPACN-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine
SMILESc1ncc(CNCCN2CCSCC2)o1
InChIInChI=1S/C10H17N3OS/c1(2-13-3-5-15-6-4-13)11-7-10-8-12-9-14-10/h8-9,11H,1-7H2
InChIKeyCVUUUMFTEINFHV-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.81
Rot. Bonds5

About N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine

N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine (PubChem CID 106325045) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine
PubChem CID106325045
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine
SMILESc1ncc(CNCCN2CCSCC2)o1
InChIInChI=1S/C10H17N3OS/c1(2-13-3-5-15-6-4-13)11-7-10-8-12-9-14-10/h8-9,11H,1-7H2
InChIKeyCVUUUMFTEINFHV-UHFFFAOYSA-N
XLogP0.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine (CID 106325045) is N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine is c1ncc(CNCCN2CCSCC2)o1.
What is the InChIKey of N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is CVUUUMFTEINFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1(2-13-3-5-15-6-4-13)11-7-10-8-12-9-14-10/h8-9,11H,1-7H2.
What are the key properties of N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine?
N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine has a molecular weight of 227.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 106325045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).