N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide

C14H20FN3OS — CID 115683515

IUPACN-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2cc(N)ccc2F)CCS1
InChIInChI=1S/C14H20FN3OS/c1-10-9-18(6-7-20-10)5-4-14(19)17-13-8-11(16)2-3-12(13)15/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyRUEOFQHKUTWHIZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.17
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide

N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide (PubChem CID 115683515) has the molecular formula C14H20FN3OS and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide
PubChem CID115683515
Molecular FormulaC14H20FN3OS
Molecular Weight297.40 g/mol
Exact Mass297.13
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2cc(N)ccc2F)CCS1
InChIInChI=1S/C14H20FN3OS/c1-10-9-18(6-7-20-10)5-4-14(19)17-13-8-11(16)2-3-12(13)15/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyRUEOFQHKUTWHIZ-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide (CID 115683515) is N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide is CC1CN(CCC(=O)Nc2cc(N)ccc2F)CCS1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide?
The InChIKey is RUEOFQHKUTWHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3OS/c1-10-9-18(6-7-20-10)5-4-14(19)17-13-8-11(16)2-3-12(13)15/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide is sourced from PubChem (CID 115683515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).