2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine

C16H23N3O2S — CID 4260015

IUPAC2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1CCN
InChIInChI=1S/C16H23N3O2S/c1-12-14(7-8-17)15-11-13(5-6-16(15)18-12)22(20,21)19-9-3-2-4-10-19/h5-6,11,18H,2-4,7-10,17H2,1H3
InChIKeyOMNPFGRZUADPDA-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.15
Rot. Bonds4

About 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine

2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine (PubChem CID 4260015) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine
PubChem CID4260015
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1CCN
InChIInChI=1S/C16H23N3O2S/c1-12-14(7-8-17)15-11-13(5-6-16(15)18-12)22(20,21)19-9-3-2-4-10-19/h5-6,11,18H,2-4,7-10,17H2,1H3
InChIKeyOMNPFGRZUADPDA-UHFFFAOYSA-N
XLogP2.15
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[5-(benzenesulfonyl)-2-methyl-1H-indol-3-yl]ethanamine;hydrochloride
CID 18522758
[5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-piperidin-1-ylmethanone
CID 11574955
2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride
CID 53229799
2-methyl-3-propyl-1H-indole-5-sulfonic acid
CID 50887921
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
2-(4-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3842610
5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde
CID 3755055
6-(azepan-1-ylsulfonyl)-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427070
3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole
CID 177233056
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3415551
ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15947289

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine (CID 4260015) is 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1CCN.
What is the InChIKey of 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine?
The InChIKey is OMNPFGRZUADPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-14(7-8-17)15-11-13(5-6-16(15)18-12)22(20,21)19-9-3-2-4-10-19/h5-6,11,18H,2-4,7-10,17H2,1H3.
What are the key properties of 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine?
2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine has a molecular weight of 321.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 4260015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).