N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide

C15H21FN2OS — CID 52836056

IUPACN-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide
SMILESCC(C)(CNC(=O)N1CCSCC1)c1ccccc1F
InChIInChI=1S/C15H21FN2OS/c1-15(2,12-5-3-4-6-13(12)16)11-17-14(19)18-7-9-20-10-8-18/h3-6H,7-11H2,1-2H3,(H,17,19)
InChIKeyKCUWYGUCGBRWRK-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.86
Rot. Bonds3

About N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide

N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide (PubChem CID 52836056) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide
PubChem CID52836056
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC NameN-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide
SMILESCC(C)(CNC(=O)N1CCSCC1)c1ccccc1F
InChIInChI=1S/C15H21FN2OS/c1-15(2,12-5-3-4-6-13(12)16)11-17-14(19)18-7-9-20-10-8-18/h3-6H,7-11H2,1-2H3,(H,17,19)
InChIKeyKCUWYGUCGBRWRK-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide (CID 52836056) is N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide is CC(C)(CNC(=O)N1CCSCC1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide?
The InChIKey is KCUWYGUCGBRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-15(2,12-5-3-4-6-13(12)16)11-17-14(19)18-7-9-20-10-8-18/h3-6H,7-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide?
N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 52836056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).