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

C9H10FNO2S — CID 28947359

IUPAC(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESN[C@@H]1CCS(=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/t8-/m1/s1
InChIKeyHYHVAEXXWQPWPF-MRVPVSSYSA-N
MW215.25 g/mol
LogP1.00
Rot. Bonds

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

(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 28947359) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID28947359
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESN[C@@H]1CCS(=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/t8-/m1/s1
InChIKeyHYHVAEXXWQPWPF-MRVPVSSYSA-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

6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 84704436
6-(2-methylpropyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 59599210
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine
CID 83006782
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol
CID 43382134
7-bromo-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43345411
2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
CID 62360131
(4S)-7-bromo-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 131128665
6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43440318
7-tert-butyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43155239
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide
CID 104925276
N-(3-ethylpentan-2-yl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 63842929
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propane-1,2-diol
CID 66175877

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 28947359) is (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is HYHVAEXXWQPWPF-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
(4R)-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 (4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 28947359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).