6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C9H10FNO2S — CID 43121173

IUPAC6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESNC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C9H10FNO2S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8H,3-4,11H2
InChIKeyHYHVAEXXWQPWPF-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.00
Rot. Bonds

About 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43121173) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43121173
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESNC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C9H10FNO2S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8H,3-4,11H2
InChIKeyHYHVAEXXWQPWPF-UHFFFAOYSA-N
XLogP1.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methanesulfonylphenyl)methanamine
CID 16218335
(3,4-dihydro-2H-1-benzothiopyran-4-yl)ammonium chloride
CID 85920
N-(3,4-dihydro-2H-thiochromen-4-yl)benzenesulfonamide
CID 16306134
1-(4-(Methylsulfonyl)phenyl)ethanamine
CID 2736900
8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-amine
CID 16226821
3,4-dihydro-2H-thiochromen-4-amine
CID 85921
2-(Methanesulfonyl)benzylamine hydrochloride
CID 16218334
1-(4-Methanesulfonylphenyl)ethan-1-amine hydrochloride
CID 16264412
6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-amine hydrochloride
CID 16269878
3,4-dihydro-2H-thiochromen-4-amine 1,1-dioxide hydrochloride
CID 16276612
2,3-Dihydrobenzo(b)thiophen-3-amine 1,1-dioxide
CID 43522883
(1S)-1-(4-methanesulfonylphenyl)ethan-1-amine hydrochloride
CID 45792110

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43121173) is 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is NC1CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is HYHVAEXXWQPWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8H,3-4,11H2.
What are the key properties of 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 215.25 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43121173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).