1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine

C12H18N2O2S — CID 114456285

IUPAC1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
SMILESCCS(=O)(=O)CCN1CCc2cccc(N)c21
InChIInChI=1S/C12H18N2O2S/c1-2-17(15,16)9-8-14-7-6-10-4-3-5-11(13)12(10)14/h3-5H,2,6-9,13H2,1H3
InChIKeyYBDHPQLGDGNFSX-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.07
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine

1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine (PubChem CID 114456285) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
PubChem CID114456285
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
SMILESCCS(=O)(=O)CCN1CCc2cccc(N)c21
InChIInChI=1S/C12H18N2O2S/c1-2-17(15,16)9-8-14-7-6-10-4-3-5-11(13)12(10)14/h3-5H,2,6-9,13H2,1H3
InChIKeyYBDHPQLGDGNFSX-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114456040
1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine
CID 106725995
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine (CID 114456285) is 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine is CCS(=O)(=O)CCN1CCc2cccc(N)c21.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine?
The InChIKey is YBDHPQLGDGNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-17(15,16)9-8-14-7-6-10-4-3-5-11(13)12(10)14/h3-5H,2,6-9,13H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine?
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine has a molecular weight of 254.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).