3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole

C18H29N3O2S — CID 166911574

IUPAC3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole
SMILESCc1cc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2cc1C
InChIInChI=1S/C18H29N3O2S/c1-13(2)11-21-12-16(7-8-19-24(22,23)20(5)6)17-9-14(3)15(4)10-18(17)21/h9-10,12-13,19H,7-8,11H2,1-6H3
InChIKeyPELJMSGVCKVESF-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.85
Rot. Bonds7

About 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole

3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole (PubChem CID 166911574) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole
PubChem CID166911574
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole
SMILESCc1cc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2cc1C
InChIInChI=1S/C18H29N3O2S/c1-13(2)11-21-12-16(7-8-19-24(22,23)20(5)6)17-9-14(3)15(4)10-18(17)21/h9-10,12-13,19H,7-8,11H2,1-6H3
InChIKeyPELJMSGVCKVESF-UHFFFAOYSA-N
XLogP2.85
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.85
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]-5,6-dimethyl-1-(2-methylpropyl)indole?
The IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole (CID 166911574) is 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole.
What is the SMILES notation for 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole?
The canonical SMILES for 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole is Cc1cc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2cc1C.
What is the InChIKey of 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole?
The InChIKey is PELJMSGVCKVESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-13(2)11-21-12-16(7-8-19-24(22,23)20(5)6)17-9-14(3)15(4)10-18(17)21/h9-10,12-13,19H,7-8,11H2,1-6H3.
What are the key properties of 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole?
3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole has a molecular weight of 351.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole is sourced from PubChem (CID 166911574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).