[2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine

C13H18N2S — CID 117176566

IUPAC[2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine
SMILESCC(C)SCc1cc2cc(CN)ccc2[nH]1
InChIInChI=1S/C13H18N2S/c1-9(2)16-8-12-6-11-5-10(7-14)3-4-13(11)15-12/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyLHZIYUKLGOIRGX-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.27
Rot. Bonds4

About [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine

[2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine (PubChem CID 117176566) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine
PubChem CID117176566
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name[2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine
SMILESCC(C)SCc1cc2cc(CN)ccc2[nH]1
InChIInChI=1S/C13H18N2S/c1-9(2)16-8-12-6-11-5-10(7-14)3-4-13(11)15-12/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyLHZIYUKLGOIRGX-UHFFFAOYSA-N
XLogP3.27
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine?
The IUPAC name of [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine (CID 117176566) is [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine.
What is the SMILES notation for [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine?
The canonical SMILES for [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine is CC(C)SCc1cc2cc(CN)ccc2[nH]1.
What is the InChIKey of [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine?
The InChIKey is LHZIYUKLGOIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9(2)16-8-12-6-11-5-10(7-14)3-4-13(11)15-12/h3-6,9,15H,7-8,14H2,1-2H3.
What are the key properties of [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine?
[2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine has a molecular weight of 234.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine is sourced from PubChem (CID 117176566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).