N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide

C12H18N2O3S — CID 114175400

IUPACN-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1ccc2c1CCCC2=O
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)13-7-3-8-14-9-6-10-11(14)4-2-5-12(10)15/h6,9,13H,2-5,7-8H2,1H3
InChIKeyZYUNKXFIYKRNBY-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.95
Rot. Bonds5

About N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide

N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide (PubChem CID 114175400) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
PubChem CID114175400
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1ccc2c1CCCC2=O
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)13-7-3-8-14-9-6-10-11(14)4-2-5-12(10)15/h6,9,13H,2-5,7-8H2,1H3
InChIKeyZYUNKXFIYKRNBY-UHFFFAOYSA-N
XLogP0.95
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
CID 114124699
1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
CID 83114594
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one
CID 62038577
1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one
CID 106432325
1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
CID 104765340
1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one
CID 102700417
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
CID 79238113
1-(thiolan-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
CID 80586096
N-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]methanesulfonamide
CID 106338184
1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87500274
1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one
CID 55053043
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide (CID 114175400) is N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCn1ccc2c1CCCC2=O.
What is the InChIKey of N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide?
The InChIKey is ZYUNKXFIYKRNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)13-7-3-8-14-9-6-10-11(14)4-2-5-12(10)15/h6,9,13H,2-5,7-8H2,1H3.
What are the key properties of N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide?
N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 114175400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).