1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole

C14H19NO2S — CID 117185368

IUPAC1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole
SMILESCc1ccc2c(c1)cc(CS(=O)(=O)C(C)C)n2C
InChIInChI=1S/C14H19NO2S/c1-10(2)18(16,17)9-13-8-12-7-11(3)5-6-14(12)15(13)4/h5-8,10H,9H2,1-4H3
InChIKeyDHHRNTCUANBSMA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.81
Rot. Bonds3

About 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole

1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole (PubChem CID 117185368) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole.

Molecular Properties

Compound Name1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole
PubChem CID117185368
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole
SMILESCc1ccc2c(c1)cc(CS(=O)(=O)C(C)C)n2C
InChIInChI=1S/C14H19NO2S/c1-10(2)18(16,17)9-13-8-12-7-11(3)5-6-14(12)15(13)4/h5-8,10H,9H2,1-4H3
InChIKeyDHHRNTCUANBSMA-UHFFFAOYSA-N
XLogP2.81
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole?
The IUPAC name of 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole (CID 117185368) is 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole.
What is the SMILES notation for 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole?
The canonical SMILES for 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole is Cc1ccc2c(c1)cc(CS(=O)(=O)C(C)C)n2C.
What is the InChIKey of 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole?
The InChIKey is DHHRNTCUANBSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(2)18(16,17)9-13-8-12-7-11(3)5-6-14(12)15(13)4/h5-8,10H,9H2,1-4H3.
What are the key properties of 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole?
1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole has a molecular weight of 265.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole is sourced from PubChem (CID 117185368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).