1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol

C13H17NO3S — CID 117176675

IUPAC1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
SMILESCC(C)S(=O)(=O)Cc1cc2cc(O)ccc2n1C
InChIInChI=1S/C13H17NO3S/c1-9(2)18(16,17)8-11-6-10-7-12(15)4-5-13(10)14(11)3/h4-7,9,15H,8H2,1-3H3
InChIKeyORBLCPZOCQXFLG-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.21
Rot. Bonds3

About 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol

1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol (PubChem CID 117176675) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol.

Molecular Properties

Compound Name1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
PubChem CID117176675
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
SMILESCC(C)S(=O)(=O)Cc1cc2cc(O)ccc2n1C
InChIInChI=1S/C13H17NO3S/c1-9(2)18(16,17)8-11-6-10-7-12(15)4-5-13(10)14(11)3/h4-7,9,15H,8H2,1-3H3
InChIKeyORBLCPZOCQXFLG-UHFFFAOYSA-N
XLogP2.21
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol?
The IUPAC name of 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol (CID 117176675) is 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol.
What is the SMILES notation for 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol?
The canonical SMILES for 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol is CC(C)S(=O)(=O)Cc1cc2cc(O)ccc2n1C.
What is the InChIKey of 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol?
The InChIKey is ORBLCPZOCQXFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9(2)18(16,17)8-11-6-10-7-12(15)4-5-13(10)14(11)3/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol?
1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol has a molecular weight of 267.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol is sourced from PubChem (CID 117176675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).