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

C13H19NO3S — CID 55063038

IUPACN-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCS(=O)(=O)CCNC1CCOc2ccccc21
InChIInChI=1S/C13H19NO3S/c1-2-18(15,16)10-8-14-12-7-9-17-13-6-4-3-5-11(12)13/h3-6,12,14H,2,7-10H2,1H3
InChIKeyZNOUQUMSDVCFQP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds5

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

N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 55063038) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID55063038
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCS(=O)(=O)CCNC1CCOc2ccccc21
InChIInChI=1S/C13H19NO3S/c1-2-18(15,16)10-8-14-12-7-9-17-13-6-4-3-5-11(12)13/h3-6,12,14H,2,7-10H2,1H3
InChIKeyZNOUQUMSDVCFQP-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 79558893
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
6-bromo-N-(2-methylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 54932496
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
N-[(1-propylcyclopropyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 113348909
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 55063038) is N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine is CCS(=O)(=O)CCNC1CCOc2ccccc21.
What is the InChIKey of N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZNOUQUMSDVCFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-18(15,16)10-8-14-12-7-9-17-13-6-4-3-5-11(12)13/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine?
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 269.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 55063038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).