6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine

C15H16FNO2S2 — CID 81391429

IUPAC6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESC[C@H](NC1CCS(=O)(=O)c2ccc(F)cc21)c1cccs1
InChIInChI=1S/C15H16FNO2S2/c1-10(14-3-2-7-20-14)17-13-6-8-21(18,19)15-5-4-11(16)9-12(13)15/h2-5,7,9-10,13,17H,6,8H2,1H3/t10-,13?/m0/s1
InChIKeyUDIJHTDUKHGHSU-NKUHCKNESA-N
MW325.43 g/mol
LogP3.46
Rot. Bonds3

About 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine

6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 81391429) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID81391429
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC Name6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESC[C@H](NC1CCS(=O)(=O)c2ccc(F)cc21)c1cccs1
InChIInChI=1S/C15H16FNO2S2/c1-10(14-3-2-7-20-14)17-13-6-8-21(18,19)15-5-4-11(16)9-12(13)15/h2-5,7,9-10,13,17H,6,8H2,1H3/t10-,13?/m0/s1
InChIKeyUDIJHTDUKHGHSU-NKUHCKNESA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43440318
N-(3-ethylpentan-2-yl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 63842929
6-fluoro-1,1-dioxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 106282275
(2S)-2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-1-ol
CID 104980580
6-fluoro-1,1-dioxo-N-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 104759339
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propane-1,2-diol
CID 66175877
6-chloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538948
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol
CID 43382134
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine
CID 83006782
2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexan-1-ol
CID 62360131
6-fluoro-1,1-dioxo-N-(3-propoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 82941544
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547096

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 81391429) is 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine is C[C@H](NC1CCS(=O)(=O)c2ccc(F)cc21)c1cccs1.
What is the InChIKey of 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is UDIJHTDUKHGHSU-NKUHCKNESA-N. The full InChI is InChI=1S/C15H16FNO2S2/c1-10(14-3-2-7-20-14)17-13-6-8-21(18,19)15-5-4-11(16)9-12(13)15/h2-5,7,9-10,13,17H,6,8H2,1H3/t10-,13?/m0/s1.
What are the key properties of 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 325.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,1-dioxo-N-[(1S)-1-thiophen-2-ylethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 81391429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).