2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine

C13H19NO3S — CID 28918603

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine
SMILESNCCS(=O)(=O)CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19NO3S/c14-6-8-18(15,16)9-7-17-13-5-4-11-2-1-3-12(11)10-13/h4-5,10H,1-3,6-9,14H2
InChIKeyCFYHHMJHQSLCOV-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.93
Rot. Bonds6

About 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine

2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine (PubChem CID 28918603) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine
PubChem CID28918603
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine
SMILESNCCS(=O)(=O)CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19NO3S/c14-6-8-18(15,16)9-7-17-13-5-4-11-2-1-3-12(11)10-13/h4-5,10H,1-3,6-9,14H2
InChIKeyCFYHHMJHQSLCOV-UHFFFAOYSA-N
XLogP0.93
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669
2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine
CID 28918551
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
CID 64814616
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 176697938
hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
CID 66337101
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile
CID 54965695
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
CID 43212374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine (CID 28918603) is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine is NCCS(=O)(=O)CCOc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine?
The InChIKey is CFYHHMJHQSLCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c14-6-8-18(15,16)9-7-17-13-5-4-11-2-1-3-12(11)10-13/h4-5,10H,1-3,6-9,14H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine?
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine has a molecular weight of 269.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine is sourced from PubChem (CID 28918603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).