N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine

C15H16N2O3S — CID 114598832

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NC1CCOc2ccccc21
InChIInChI=1S/C15H16N2O3S/c1-21(18,19)14-7-4-9-16-15(14)17-12-8-10-20-13-6-3-2-5-11(12)13/h2-7,9,12H,8,10H2,1H3,(H,16,17)
InChIKeyYZDBEYAUBTXJMK-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.42
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine

N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine (PubChem CID 114598832) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine
PubChem CID114598832
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NC1CCOc2ccccc21
InChIInChI=1S/C15H16N2O3S/c1-21(18,19)14-7-4-9-16-15(14)17-12-8-10-20-13-6-3-2-5-11(12)13/h2-7,9,12H,8,10H2,1H3,(H,16,17)
InChIKeyYZDBEYAUBTXJMK-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine
CID 120603094
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide
CID 62367470
1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione
CID 114598952
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine
CID 114598944
N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 79558893
N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine
CID 108774221
N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 106544504
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
CID 94158654

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine (CID 114598832) is N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine is CS(=O)(=O)c1cccnc1NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is YZDBEYAUBTXJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-21(18,19)14-7-4-9-16-15(14)17-12-8-10-20-13-6-3-2-5-11(12)13/h2-7,9,12H,8,10H2,1H3,(H,16,17).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 304.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).