N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide

C13H18N2O2S — CID 5158944

IUPACN-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C13H18N2O2S/c1-4-18(16,17)14-9-11-5-6-13-12(8-11)7-10(2)15(13)3/h5-8,14H,4,9H2,1-3H3
InChIKeyXJVSMEKLAXUOSM-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.93
Rot. Bonds4

About N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide

N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide (PubChem CID 5158944) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide
PubChem CID5158944
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C13H18N2O2S/c1-4-18(16,17)14-9-11-5-6-13-12(8-11)7-10(2)15(13)3/h5-8,14H,4,9H2,1-3H3
InChIKeyXJVSMEKLAXUOSM-UHFFFAOYSA-N
XLogP1.93
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide (CID 5158944) is N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide?
The InChIKey is XJVSMEKLAXUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-18(16,17)14-9-11-5-6-13-12(8-11)7-10(2)15(13)3/h5-8,14H,4,9H2,1-3H3.
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide?
N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 5158944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).