5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide

C15H23FN2S — CID 65259633

IUPAC5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide
SMILESCN(CCCC(C)(C)C(N)=S)Cc1ccccc1F
InChIInChI=1S/C15H23FN2S/c1-15(2,14(17)19)9-6-10-18(3)11-12-7-4-5-8-13(12)16/h4-5,7-8H,6,9-11H2,1-3H3,(H2,17,19)
InChIKeyQAMRNOIFPIBGCA-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.35
Rot. Bonds7

About 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide

5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide (PubChem CID 65259633) has the molecular formula C15H23FN2S and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide
PubChem CID65259633
Molecular FormulaC15H23FN2S
Molecular Weight282.43 g/mol
Exact Mass282.16
IUPAC Name5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide
SMILESCN(CCCC(C)(C)C(N)=S)Cc1ccccc1F
InChIInChI=1S/C15H23FN2S/c1-15(2,14(17)19)9-6-10-18(3)11-12-7-4-5-8-13(12)16/h4-5,7-8H,6,9-11H2,1-3H3,(H2,17,19)
InChIKeyQAMRNOIFPIBGCA-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
CID 65254792
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
N-(3-amino-3-sulfanylidenepropyl)-3-[(2-fluorophenyl)methyl-methylamino]-N-methylpropanamide
CID 61412837
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
5-[5-hydroxypentyl(methyl)amino]-2,2-dimethylpentanethioamide
CID 107199838

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide?
The IUPAC name of 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide (CID 65259633) is 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide?
The canonical SMILES for 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide is CN(CCCC(C)(C)C(N)=S)Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide?
The InChIKey is QAMRNOIFPIBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2S/c1-15(2,14(17)19)9-6-10-18(3)11-12-7-4-5-8-13(12)16/h4-5,7-8H,6,9-11H2,1-3H3,(H2,17,19).
What are the key properties of 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide?
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide has a molecular weight of 282.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide is sourced from PubChem (CID 65259633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).