N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

C15H20N2O2S — CID 110695502

IUPACN-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CSCC(=O)N1
InChIInChI=1S/C15H20N2O2S/c1-11(2)17(8-12-6-4-3-5-7-12)15(19)13-9-20-10-14(18)16-13/h3-7,11,13H,8-10H2,1-2H3,(H,16,18)
InChIKeyPPUFFIZAIYIQGT-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.66
Rot. Bonds4

About N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (PubChem CID 110695502) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
PubChem CID110695502
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CSCC(=O)N1
InChIInChI=1S/C15H20N2O2S/c1-11(2)17(8-12-6-4-3-5-7-12)15(19)13-9-20-10-14(18)16-13/h3-7,11,13H,8-10H2,1-2H3,(H,16,18)
InChIKeyPPUFFIZAIYIQGT-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The IUPAC name of N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (CID 110695502) is N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CSCC(=O)N1.
What is the InChIKey of N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The InChIKey is PPUFFIZAIYIQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(2)17(8-12-6-4-3-5-7-12)15(19)13-9-20-10-14(18)16-13/h3-7,11,13H,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 110695502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).