N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C14H15NO3S — CID 43754917

IUPACN-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(NCc2ccco2)c2ccccc21
InChIInChI=1S/C14H15NO3S/c16-19(17)9-7-13(12-5-1-2-6-14(12)19)15-10-11-4-3-8-18-11/h1-6,8,13,15H,7,9-10H2
InChIKeyHJQCYKDXOVOEIR-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.29
Rot. Bonds3

About N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43754917) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43754917
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC NameN-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(NCc2ccco2)c2ccccc21
InChIInChI=1S/C14H15NO3S/c16-19(17)9-7-13(12-5-1-2-6-14(12)19)15-10-11-4-3-8-18-11/h1-6,8,13,15H,7,9-10H2
InChIKeyHJQCYKDXOVOEIR-UHFFFAOYSA-N
XLogP2.29
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea
CID 75377793
N-hex-5-ynyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925177
N-(2-methoxypropyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 102696007
N-[(1-methylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925158
1-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 113491993
1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43538900
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide
CID 104926644
(4R)-1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 129369105
1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63242476
N-(1,1-dioxothiolan-3-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43757070
4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol;hydrochloride
CID 18558678
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61211656

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43754917) is N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is O=S1(=O)CCC(NCc2ccco2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is HJQCYKDXOVOEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-19(17)9-7-13(12-5-1-2-6-14(12)19)15-10-11-4-3-8-18-11/h1-6,8,13,15H,7,9-10H2.
What are the key properties of N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 277.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43754917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).