3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole

C19H31N3O2S — CID 166912114

IUPAC3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole
SMILESCCCc1ccc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2c1
InChIInChI=1S/C19H31N3O2S/c1-6-7-16-8-9-18-17(10-11-20-25(23,24)21(4)5)14-22(13-15(2)3)19(18)12-16/h8-9,12,14-15,20H,6-7,10-11,13H2,1-5H3
InChIKeyRFTZVNYMADLBTA-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.19
Rot. Bonds9

About 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole

3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole (PubChem CID 166912114) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole
PubChem CID166912114
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole
SMILESCCCc1ccc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2c1
InChIInChI=1S/C19H31N3O2S/c1-6-7-16-8-9-18-17(10-11-20-25(23,24)21(4)5)14-22(13-15(2)3)19(18)12-16/h8-9,12,14-15,20H,6-7,10-11,13H2,1-5H3
InChIKeyRFTZVNYMADLBTA-UHFFFAOYSA-N
XLogP3.19
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole?
The IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole (CID 166912114) is 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole.
What is the SMILES notation for 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole?
The canonical SMILES for 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole is CCCc1ccc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2c1.
What is the InChIKey of 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole?
The InChIKey is RFTZVNYMADLBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-6-7-16-8-9-18-17(10-11-20-25(23,24)21(4)5)14-22(13-15(2)3)19(18)12-16/h8-9,12,14-15,20H,6-7,10-11,13H2,1-5H3.
What are the key properties of 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole?
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole has a molecular weight of 365.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole is sourced from PubChem (CID 166912114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).