3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide

C14H19FN2OS — CID 62984512

IUPAC3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide
SMILESCC(c1ccccc1F)N(C)C(=O)C(C)(C)C(N)=S
InChIInChI=1S/C14H19FN2OS/c1-9(10-7-5-6-8-11(10)15)17(4)13(18)14(2,3)12(16)19/h5-9H,1-4H3,(H2,16,19)
InChIKeyRKNMVYXRUVHBBH-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide

3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide (PubChem CID 62984512) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide
PubChem CID62984512
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide
SMILESCC(c1ccccc1F)N(C)C(=O)C(C)(C)C(N)=S
InChIInChI=1S/C14H19FN2OS/c1-9(10-7-5-6-8-11(10)15)17(4)13(18)14(2,3)12(16)19/h5-9H,1-4H3,(H2,16,19)
InChIKeyRKNMVYXRUVHBBH-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 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 ≤ 52.66
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

2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 114291471
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2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62980702
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 105386146
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide (CID 62984512) is 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide is CC(c1ccccc1F)N(C)C(=O)C(C)(C)C(N)=S.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide?
The InChIKey is RKNMVYXRUVHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-9(10-7-5-6-8-11(10)15)17(4)13(18)14(2,3)12(16)19/h5-9H,1-4H3,(H2,16,19).
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide?
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide has a molecular weight of 282.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62984512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).