1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol

C13H21NOS — CID 63959351

IUPAC1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCSCC(C)Cn1ccc2c1CCCC2O
InChIInChI=1S/C13H21NOS/c1-10(9-16-2)8-14-7-6-11-12(14)4-3-5-13(11)15/h6-7,10,13,15H,3-5,8-9H2,1-2H3
InChIKeyXXWIUBPLBSMOLB-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol

1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 63959351) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID63959351
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCSCC(C)Cn1ccc2c1CCCC2O
InChIInChI=1S/C13H21NOS/c1-10(9-16-2)8-14-7-6-11-12(14)4-3-5-13(11)15/h6-7,10,13,15H,3-5,8-9H2,1-2H3
InChIKeyXXWIUBPLBSMOLB-UHFFFAOYSA-N
XLogP2.86
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol (CID 63959351) is 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol is CSCC(C)Cn1ccc2c1CCCC2O.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is XXWIUBPLBSMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(9-16-2)8-14-7-6-11-12(14)4-3-5-13(11)15/h6-7,10,13,15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 239.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 63959351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).