N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide

C14H17FN2OS — CID 60595721

IUPACN-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide
SMILESO=C(NC1CC1c1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C14H17FN2OS/c15-11-3-1-2-10(8-11)12-9-13(12)16-14(18)17-4-6-19-7-5-17/h1-3,8,12-13H,4-7,9H2,(H,16,18)
InChIKeyFITURKANTOOJKI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.44
Rot. Bonds2

About N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide

N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide (PubChem CID 60595721) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide
PubChem CID60595721
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide
SMILESO=C(NC1CC1c1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C14H17FN2OS/c15-11-3-1-2-10(8-11)12-9-13(12)16-14(18)17-4-6-19-7-5-17/h1-3,8,12-13H,4-7,9H2,(H,16,18)
InChIKeyFITURKANTOOJKI-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide (CID 60595721) is N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide is O=C(NC1CC1c1cccc(F)c1)N1CCSCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide?
The InChIKey is FITURKANTOOJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c15-11-3-1-2-10(8-11)12-9-13(12)16-14(18)17-4-6-19-7-5-17/h1-3,8,12-13H,4-7,9H2,(H,16,18).
What are the key properties of N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide?
N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 60595721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).