1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol

C15H21NOS — CID 117179103

IUPAC1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
SMILESCC(C)SCc1cn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C15H21NOS/c1-10(2)16-8-12(9-18-11(3)4)14-6-5-13(17)7-15(14)16/h5-8,10-11,17H,9H2,1-4H3
InChIKeyIUAZTTTZIVZJOR-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.57
Rot. Bonds4

About 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol

1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol (PubChem CID 117179103) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
PubChem CID117179103
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
SMILESCC(C)SCc1cn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C15H21NOS/c1-10(2)16-8-12(9-18-11(3)4)14-6-5-13(17)7-15(14)16/h5-8,10-11,17H,9H2,1-4H3
InChIKeyIUAZTTTZIVZJOR-UHFFFAOYSA-N
XLogP4.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol?
The IUPAC name of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol (CID 117179103) is 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol.
What is the SMILES notation for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol?
The canonical SMILES for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol is CC(C)SCc1cn(C(C)C)c2cc(O)ccc12.
What is the InChIKey of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol?
The InChIKey is IUAZTTTZIVZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10(2)16-8-12(9-18-11(3)4)14-6-5-13(17)7-15(14)16/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol?
1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol has a molecular weight of 263.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol is sourced from PubChem (CID 117179103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).