N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide

C14H19FN2OS — CID 56785701

IUPACN-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide
SMILESO=C(NCCCc1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C14H19FN2OS/c15-13-5-1-3-12(11-13)4-2-6-16-14(18)17-7-9-19-10-8-17/h1,3,5,11H,2,4,6-10H2,(H,16,18)
InChIKeyGOJOSGZBXUQDHW-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.52
Rot. Bonds4

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

N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide (PubChem CID 56785701) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide
PubChem CID56785701
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC NameN-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide
SMILESO=C(NCCCc1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C14H19FN2OS/c15-13-5-1-3-12(11-13)4-2-6-16-14(18)17-7-9-19-10-8-17/h1,3,5,11H,2,4,6-10H2,(H,16,18)
InChIKeyGOJOSGZBXUQDHW-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Phenylthiomorpholin-3-one
CID 20242416
N4-(2-[[3-(trifluoromethyl)benzyl]thio]ethyl)thiomorpholine-4-carboxamide
CID 609524
4-benzyl-N-propylpiperidine-1-carboxamide
CID 6469905
1-(3-Phenylpropyl)-1,3-diazinan-2-one
CID 21479138
1-(2-Phenylethyl)-1,3-diazinan-2-one
CID 21479312
5-(Diethylsulfonio)-1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxohexahydropyrimidin-5-ide
CID 3776035
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 4647886
1-[(1,1-Dioxothiolan-3-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 45810763
N-[2-(2-fluorophenyl)ethyl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 53505692
4-benzylidene-N-methylpiperidine-1-carboxamide
CID 71924368
4-benzylidene-N-ethylpiperidine-1-carboxamide
CID 71977296
1-(2-Tert-butylsulfonylethyl)-3-[3-(3-fluorophenyl)propyl]urea
CID 72015169

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide (CID 56785701) is N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide is O=C(NCCCc1cccc(F)c1)N1CCSCC1.
What is the InChIKey of N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide?
The InChIKey is GOJOSGZBXUQDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c15-13-5-1-3-12(11-13)4-2-6-16-14(18)17-7-9-19-10-8-17/h1,3,5,11H,2,4,6-10H2,(H,16,18).
What are the key properties of N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide?
N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)propyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 56785701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).