2-thiomorpholin-4-ylpropanamide

C7H14N2OS — CID 60775255

IUPAC2-thiomorpholin-4-ylpropanamide
SMILESCC(C(N)=O)N1CCSCC1
InChIInChI=1S/C7H14N2OS/c1-6(7(8)10)9-2-4-11-5-3-9/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyHUEDXWFZAODHOS-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.09
Rot. Bonds2

About 2-thiomorpholin-4-ylpropanamide

2-thiomorpholin-4-ylpropanamide (PubChem CID 60775255) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound Name2-thiomorpholin-4-ylpropanamide
PubChem CID60775255
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-thiomorpholin-4-ylpropanamide
SMILESCC(C(N)=O)N1CCSCC1
InChIInChI=1S/C7H14N2OS/c1-6(7(8)10)9-2-4-11-5-3-9/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyHUEDXWFZAODHOS-UHFFFAOYSA-N
XLogP-0.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylpropanamide?
The IUPAC name of 2-thiomorpholin-4-ylpropanamide (CID 60775255) is 2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for 2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for 2-thiomorpholin-4-ylpropanamide is CC(C(N)=O)N1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylpropanamide?
The InChIKey is HUEDXWFZAODHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6(7(8)10)9-2-4-11-5-3-9/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of 2-thiomorpholin-4-ylpropanamide?
2-thiomorpholin-4-ylpropanamide has a molecular weight of 174.27 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 60775255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).