(1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine

C15H16FNO2S — CID 64906194

IUPAC(1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine
SMILESNC(c1ccc(F)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H16FNO2S/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-20(18,19)9-10/h1-6,10,15H,7-9,17H2
InChIKeyVAZQCLJEDNYBQB-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.41
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine

(1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine (PubChem CID 64906194) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine
PubChem CID64906194
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name(1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine
SMILESNC(c1ccc(F)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H16FNO2S/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-20(18,19)9-10/h1-6,10,15H,7-9,17H2
InChIKeyVAZQCLJEDNYBQB-UHFFFAOYSA-N
XLogP2.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine (CID 64906194) is (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine is NC(c1ccc(F)c2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine?
The InChIKey is VAZQCLJEDNYBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-20(18,19)9-10/h1-6,10,15H,7-9,17H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine?
(1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine has a molecular weight of 293.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(4-fluoronaphthalen-1-yl)methanamine is sourced from PubChem (CID 64906194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).