5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine

C14H21NO3S — CID 107683001

IUPAC5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCS(=O)(=O)CCOc1ccc2c(c1)CCC2N
InChIInChI=1S/C14H21NO3S/c1-2-8-19(16,17)9-7-18-12-4-5-13-11(10-12)3-6-14(13)15/h4-5,10,14H,2-3,6-9,15H2,1H3
InChIKeyDQBWWNCLGYWYOB-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.84
Rot. Bonds6

About 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine

5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683001) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID107683001
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCS(=O)(=O)CCOc1ccc2c(c1)CCC2N
InChIInChI=1S/C14H21NO3S/c1-2-8-19(16,17)9-7-18-12-4-5-13-11(10-12)3-6-14(13)15/h4-5,10,14H,2-3,6-9,15H2,1H3
InChIKeyDQBWWNCLGYWYOB-UHFFFAOYSA-N
XLogP1.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682901
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682898
(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
CID 106437189
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
2-fluoro-4-(2-propylsulfonylethoxy)benzoic acid
CID 107675513
ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736
4-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 107683179
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
3-[3-(2-propylsulfonylethoxy)phenyl]prop-2-yn-1-amine
CID 106728270

Frequently Asked Questions

What is the IUPAC name of 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine (CID 107683001) is 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine is CCCS(=O)(=O)CCOc1ccc2c(c1)CCC2N.
What is the InChIKey of 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DQBWWNCLGYWYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-8-19(16,17)9-7-18-12-4-5-13-11(10-12)3-6-14(13)15/h4-5,10,14H,2-3,6-9,15H2,1H3.
What are the key properties of 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine?
5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).