[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine

C15H23NO2S — CID 106734067

IUPAC[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine
SMILESCCCS(=O)(=O)CCC1(CN)CCc2ccccc21
InChIInChI=1S/C15H23NO2S/c1-2-10-19(17,18)11-9-15(12-16)8-7-13-5-3-4-6-14(13)15/h3-6H,2,7-12,16H2,1H3
InChIKeyBSJYBUJJEYRAEI-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.04
Rot. Bonds6

About [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine

[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine (PubChem CID 106734067) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine.

Molecular Properties

Compound Name[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine
PubChem CID106734067
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine
SMILESCCCS(=O)(=O)CCC1(CN)CCc2ccccc21
InChIInChI=1S/C15H23NO2S/c1-2-10-19(17,18)11-9-15(12-16)8-7-13-5-3-4-6-14(13)15/h3-6H,2,7-12,16H2,1H3
InChIKeyBSJYBUJJEYRAEI-UHFFFAOYSA-N
XLogP2.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-4-(2-propylsulfonylethyl)-2,3-dihydro-1H-naphthalene
CID 106734497
1-(2-propylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 106727810
2-(2-propylsulfonylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 106734006
[1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65409246
2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine
CID 142113085
[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine
CID 65407520
[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 65409445
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 63521983
3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene
CID 144692126
[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 106734060
1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile
CID 65408044
[1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65408670

Frequently Asked Questions

What is the IUPAC name of [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine?
The IUPAC name of [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine (CID 106734067) is [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine.
What is the SMILES notation for [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine?
The canonical SMILES for [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine is CCCS(=O)(=O)CCC1(CN)CCc2ccccc21.
What is the InChIKey of [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine?
The InChIKey is BSJYBUJJEYRAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-10-19(17,18)11-9-15(12-16)8-7-13-5-3-4-6-14(13)15/h3-6H,2,7-12,16H2,1H3.
What are the key properties of [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine?
[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine is sourced from PubChem (CID 106734067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).