8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

C15H20FNOS — CID 104538069

IUPAC8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCCC1CCOC1
InChIInChI=1S/C15H20FNOS/c16-13-3-1-2-12-14(6-9-19-15(12)13)17-7-4-11-5-8-18-10-11/h1-3,11,14,17H,4-10H2
InChIKeyIXSUIPKVWUJJEC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.38
Rot. Bonds4

About 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 104538069) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID104538069
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCCC1CCOC1
InChIInChI=1S/C15H20FNOS/c16-13-3-1-2-12-14(6-9-19-15(12)13)17-7-4-11-5-8-18-10-11/h1-3,11,14,17H,4-10H2
InChIKeyIXSUIPKVWUJJEC-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43758296
8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
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8-fluoro-N-(2-phenylsulfanylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 60976209
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
N-[3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propyl]methanesulfonamide
CID 103776635
8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63242211
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
8-fluoro-N-(furan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115607143
8-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 115894039

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 104538069) is 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NCCC1CCOC1.
What is the InChIKey of 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is IXSUIPKVWUJJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c16-13-3-1-2-12-14(6-9-19-15(12)13)17-7-4-11-5-8-18-10-11/h1-3,11,14,17H,4-10H2.
What are the key properties of 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 104538069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).