2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole

C15H21NS — CID 117186618

IUPAC2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole
SMILESCCSCc1cc2cccc(C)c2n1C(C)C
InChIInChI=1S/C15H21NS/c1-5-17-10-14-9-13-8-6-7-12(4)15(13)16(14)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyXNNSZIGPDRUFIB-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.78
Rot. Bonds4

About 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole

2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole (PubChem CID 117186618) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole
PubChem CID117186618
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole
SMILESCCSCc1cc2cccc(C)c2n1C(C)C
InChIInChI=1S/C15H21NS/c1-5-17-10-14-9-13-8-6-7-12(4)15(13)16(14)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyXNNSZIGPDRUFIB-UHFFFAOYSA-N
XLogP4.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole?
The IUPAC name of 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole (CID 117186618) is 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole?
The canonical SMILES for 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole is CCSCc1cc2cccc(C)c2n1C(C)C.
What is the InChIKey of 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole?
The InChIKey is XNNSZIGPDRUFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-5-17-10-14-9-13-8-6-7-12(4)15(13)16(14)11(2)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole?
2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole has a molecular weight of 247.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole is sourced from PubChem (CID 117186618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).