1-[2-(dimethylsulfamoylamino)ethyl]indole

C12H17N3O2S — CID 110732667

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]indole
SMILESCN(C)S(=O)(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C12H17N3O2S/c1-14(2)18(16,17)13-8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9,13H,8,10H2,1-2H3
InChIKeyGDACNVMRQUGDBY-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.04
Rot. Bonds5

About 1-[2-(dimethylsulfamoylamino)ethyl]indole

1-[2-(dimethylsulfamoylamino)ethyl]indole (PubChem CID 110732667) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]indole.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]indole
PubChem CID110732667
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]indole
SMILESCN(C)S(=O)(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C12H17N3O2S/c1-14(2)18(16,17)13-8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9,13H,8,10H2,1-2H3
InChIKeyGDACNVMRQUGDBY-UHFFFAOYSA-N
XLogP1.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387
1-(3-ethylsulfonylpropyl)indole
CID 65097244
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
1-(2-phenylethyl)indole
CID 12601752
1,1-diethyl-3-(2-indol-1-ylethyl)urea
CID 108726423
methanamine;1-(2-phenylethyl)indole
CID 144619116
N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide
CID 71899025
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 108780319
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]indole?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]indole (CID 110732667) is 1-[2-(dimethylsulfamoylamino)ethyl]indole.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]indole?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]indole is CN(C)S(=O)(=O)NCCn1ccc2ccccc21.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]indole?
The InChIKey is GDACNVMRQUGDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-14(2)18(16,17)13-8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9,13H,8,10H2,1-2H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]indole?
1-[2-(dimethylsulfamoylamino)ethyl]indole has a molecular weight of 267.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]indole is sourced from PubChem (CID 110732667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).