[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine

C13H18N2S — CID 117176571

IUPAC[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
SMILESCCSCc1cc2cc(CN)ccc2n1C
InChIInChI=1S/C13H18N2S/c1-3-16-9-12-7-11-6-10(8-14)4-5-13(11)15(12)2/h4-7H,3,8-9,14H2,1-2H3
InChIKeyZTBWVDHYSSJQSB-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.89
Rot. Bonds4

About [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine

[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine (PubChem CID 117176571) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
PubChem CID117176571
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
SMILESCCSCc1cc2cc(CN)ccc2n1C
InChIInChI=1S/C13H18N2S/c1-3-16-9-12-7-11-6-10(8-14)4-5-13(11)15(12)2/h4-7H,3,8-9,14H2,1-2H3
InChIKeyZTBWVDHYSSJQSB-UHFFFAOYSA-N
XLogP2.89
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine?
The IUPAC name of [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine (CID 117176571) is [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine.
What is the SMILES notation for [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine?
The canonical SMILES for [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine is CCSCc1cc2cc(CN)ccc2n1C.
What is the InChIKey of [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine?
The InChIKey is ZTBWVDHYSSJQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-16-9-12-7-11-6-10(8-14)4-5-13(11)15(12)2/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine?
[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine has a molecular weight of 234.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine is sourced from PubChem (CID 117176571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).