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

C14H20N2O2S — CID 3243942

IUPACN-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C14H20N2O2S/c1-4-7-19(17,18)15-10-12-5-6-14-13(9-12)8-11(2)16(14)3/h5-6,8-9,15H,4,7,10H2,1-3H3
InChIKeyICPUTKMFUYCSFP-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds5

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

N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide (PubChem CID 3243942) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide
PubChem CID3243942
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C14H20N2O2S/c1-4-7-19(17,18)15-10-12-5-6-14-13(9-12)8-11(2)16(14)3/h5-6,8-9,15H,4,7,10H2,1-3H3
InChIKeyICPUTKMFUYCSFP-UHFFFAOYSA-N
XLogP2.32
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.32
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]propane-1-sulfonamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide (CID 3243942) is N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide?
The InChIKey is ICPUTKMFUYCSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-7-19(17,18)15-10-12-5-6-14-13(9-12)8-11(2)16(14)3/h5-6,8-9,15H,4,7,10H2,1-3H3.
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide?
N-[(1,2-dimethylindol-5-yl)methyl]propane-1-sulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.32, 5 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]propane-1-sulfonamide is sourced from PubChem (CID 3243942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).