5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine

C21H26N2O2S — CID 143126047

IUPAC5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine
SMILESNCCCCCc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C21H26N2O2S/c22-13-6-2-3-7-18-16-23-21-11-10-17(15-20(18)21)12-14-26(24,25)19-8-4-1-5-9-19/h1,4-5,8-11,15-16,23H,2-3,6-7,12-14,22H2
InChIKeyKYPCJDGDGKJKTD-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.86
Rot. Bonds9

About 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine

5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine (PubChem CID 143126047) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine
PubChem CID143126047
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine
SMILESNCCCCCc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C21H26N2O2S/c22-13-6-2-3-7-18-16-23-21-11-10-17(15-20(18)21)12-14-26(24,25)19-8-4-1-5-9-19/h1,4-5,8-11,15-16,23H,2-3,6-7,12-14,22H2
InChIKeyKYPCJDGDGKJKTD-UHFFFAOYSA-N
XLogP3.86
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67074900
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;ethene
CID 143897190
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1H-indole;bromide;hydrate
CID 139060541
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(Z)-but-2-enedioic acid
CID 46195791
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
4-(3-methyl-1H-indol-5-yl)butan-1-amine
CID 117291124
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
CID 71179499
2-acetamido-4-methylpentanoic acid;2-aminoethanol;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 118949859
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine?
The IUPAC name of 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine (CID 143126047) is 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine?
The canonical SMILES for 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine is NCCCCCc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine?
The InChIKey is KYPCJDGDGKJKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c22-13-6-2-3-7-18-16-23-21-11-10-17(15-20(18)21)12-14-26(24,25)19-8-4-1-5-9-19/h1,4-5,8-11,15-16,23H,2-3,6-7,12-14,22H2.
What are the key properties of 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine?
5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine has a molecular weight of 370.52 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine is sourced from PubChem (CID 143126047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).