N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine

C14H21NO3S — CID 79558893

IUPACN-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(CNC1CCOc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-14(2,19(3,16)17)10-15-12-8-9-18-13-7-5-4-6-11(12)13/h4-7,12,15H,8-10H2,1-3H3
InChIKeyIYXYQXKSZIFNDS-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.92
Rot. Bonds4

About N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine

N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 79558893) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID79558893
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(CNC1CCOc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-14(2,19(3,16)17)10-15-12-8-9-18-13-7-5-4-6-11(12)13/h4-7,12,15H,8-10H2,1-3H3
InChIKeyIYXYQXKSZIFNDS-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol
CID 81412763
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 79558893) is N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)(CNC1CCOc2ccccc21)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IYXYQXKSZIFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-14(2,19(3,16)17)10-15-12-8-9-18-13-7-5-4-6-11(12)13/h4-7,12,15H,8-10H2,1-3H3.
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine?
N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 79558893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).