[5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine

C14H16N2O2S2 — CID 155516687

IUPAC[5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
SMILESCc1cc(CN)sc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H16N2O2S2/c1-10-8-12(9-15)19-14(10)20(17,18)16-7-6-11-4-2-3-5-13(11)16/h2-5,8H,6-7,9,15H2,1H3
InChIKeyVZIZILOOLQXWGR-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.27
Rot. Bonds3

About [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine

[5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine (PubChem CID 155516687) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
PubChem CID155516687
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name[5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
SMILESCc1cc(CN)sc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H16N2O2S2/c1-10-8-12(9-15)19-14(10)20(17,18)16-7-6-11-4-2-3-5-13(11)16/h2-5,8H,6-7,9,15H2,1H3
InChIKeyVZIZILOOLQXWGR-UHFFFAOYSA-N
XLogP2.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine?
The IUPAC name of [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine (CID 155516687) is [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine is Cc1cc(CN)sc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine?
The InChIKey is VZIZILOOLQXWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-8-12(9-15)19-14(10)20(17,18)16-7-6-11-4-2-3-5-13(11)16/h2-5,8H,6-7,9,15H2,1H3.
What are the key properties of [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine?
[5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine has a molecular weight of 308.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 155516687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).