1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine

C14H22N2O3S — CID 102661285

IUPAC1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCOCCCS(=O)(=O)N1CCc2cc(C(C)N)ccc21
InChIInChI=1S/C14H22N2O3S/c1-11(15)12-4-5-14-13(10-12)6-7-16(14)20(17,18)9-3-8-19-2/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyHODZMMXWNSNSPL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds6

About 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine

1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661285) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661285
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCOCCCS(=O)(=O)N1CCc2cc(C(C)N)ccc21
InChIInChI=1S/C14H22N2O3S/c1-11(15)12-4-5-14-13(10-12)6-7-16(14)20(17,18)9-3-8-19-2/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyHODZMMXWNSNSPL-UHFFFAOYSA-N
XLogP1.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661429
1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661427
1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole
CID 176666425
5-(1-aminoethyl)-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 102661293
1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
CID 102661303
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
CID 55262070
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
5-iodo-1-propylsulfonyl-2,3-dihydroindole
CID 129452194
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine (CID 102661285) is 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine is COCCCS(=O)(=O)N1CCc2cc(C(C)N)ccc21.
What is the InChIKey of 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is HODZMMXWNSNSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(15)12-4-5-14-13(10-12)6-7-16(14)20(17,18)9-3-8-19-2/h4-5,10-11H,3,6-9,15H2,1-2H3.
What are the key properties of 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine?
1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 298.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).