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

C15H20FNO2S — CID 43440253

IUPACN-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(NC2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C15H20FNO2S/c16-11-6-7-15-13(10-11)14(8-9-20(15,18)19)17-12-4-2-1-3-5-12/h6-7,10,12,14,17H,1-5,8-9H2
InChIKeyDHBDLLODPUWQLY-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.97
Rot. Bonds2

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

N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43440253) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43440253
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC NameN-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(NC2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C15H20FNO2S/c16-11-6-7-15-13(10-11)14(8-9-20(15,18)19)17-12-4-2-1-3-5-12/h6-7,10,12,14,17H,1-5,8-9H2
InChIKeyDHBDLLODPUWQLY-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

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N-(3,4-dihydro-2H-thiochromen-4-yl)benzenesulfonamide
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7-(Ethanesulfonyl)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 16082612
7-(Butane-1-sulfonyl)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
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N-benzyl-2-phenylsulfonylethanamine
CID 13655082
2,3,4,5-Tetrahydrobenzo[F][1,4]thiazepine 1,1-dioxide
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3,4-dihydro-2H-thiochromen-4-amine 1,1-dioxide hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43440253) is N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is O=S1(=O)CCC(NC2CCCCC2)c2cc(F)ccc21.
What is the InChIKey of N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is DHBDLLODPUWQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c16-11-6-7-15-13(10-11)14(8-9-20(15,18)19)17-12-4-2-1-3-5-12/h6-7,10,12,14,17H,1-5,8-9H2.
What are the key properties of N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 297.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43440253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).