N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide

C15H18F2N2O2S — CID 75444952

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide
SMILESO=C(NC1CCOC1c1ccc(F)c(F)c1)N1CCSCC1
InChIInChI=1S/C15H18F2N2O2S/c16-11-2-1-10(9-12(11)17)14-13(3-6-21-14)18-15(20)19-4-7-22-8-5-19/h1-2,9,13-14H,3-8H2,(H,18,20)
InChIKeyGUCJIFMKZQHHIV-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.55
Rot. Bonds2

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide

N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide (PubChem CID 75444952) has the molecular formula C15H18F2N2O2S and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide
PubChem CID75444952
Molecular FormulaC15H18F2N2O2S
Molecular Weight328.38 g/mol
Exact Mass328.11
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide
SMILESO=C(NC1CCOC1c1ccc(F)c(F)c1)N1CCSCC1
InChIInChI=1S/C15H18F2N2O2S/c16-11-2-1-10(9-12(11)17)14-13(3-6-21-14)18-15(20)19-4-7-22-8-5-19/h1-2,9,13-14H,3-8H2,(H,18,20)
InChIKeyGUCJIFMKZQHHIV-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide (CID 75444952) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide is O=C(NC1CCOC1c1ccc(F)c(F)c1)N1CCSCC1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide?
The InChIKey is GUCJIFMKZQHHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2S/c16-11-2-1-10(9-12(11)17)14-13(3-6-21-14)18-15(20)19-4-7-22-8-5-19/h1-2,9,13-14H,3-8H2,(H,18,20).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 75444952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).