N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

C11H13F2NOS — CID 61288330

IUPACN-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCS(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C11H13F2NOS/c1-2-14-10-3-4-16(15)11-8(10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3
InChIKeyXOIMWNCQKHPCIR-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.13
Rot. Bonds2

About N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61288330) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61288330
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC NameN-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCS(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C11H13F2NOS/c1-2-14-10-3-4-16(15)11-8(10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3
InChIKeyXOIMWNCQKHPCIR-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61288331
N-ethyl-5,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61287512
N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288732
N-ethyl-6,9-difluoro-1-oxo-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61287924
6,8-difluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287922
N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
CID 82234882
N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
CID 82234885
N-ethyl-6-oxo-2,3,7,8,9,10-hexahydrothiepino[2,3-g][1,4]benzodioxin-10-amine
CID 115478780
N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
CID 116532137
8-bromo-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289511
4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115760852
(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (CID 61288330) is N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is CCNC1CCS(=O)c2c(F)cc(F)cc21.
What is the InChIKey of N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is XOIMWNCQKHPCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c1-2-14-10-3-4-16(15)11-8(10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3.
What are the key properties of N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 245.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61288330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).