N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide

C14H23N3O2S — CID 103838340

IUPACN-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)9-7-15-11-12-4-5-14-13(10-12)6-8-17(14)2/h4-5,10,15-16H,3,6-9,11H2,1-2H3
InChIKeyFFTVTLJJMCOHFY-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.71
Rot. Bonds7

About N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide

N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide (PubChem CID 103838340) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide
PubChem CID103838340
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)9-7-15-11-12-4-5-14-13(10-12)6-8-17(14)2/h4-5,10,15-16H,3,6-9,11H2,1-2H3
InChIKeyFFTVTLJJMCOHFY-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104922982
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
N-[(1-ethylcyclopropyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 103838456
2-N,2-N-dimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propane-1,2-diamine
CID 55035111
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 62097009
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide (CID 103838340) is N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide is CCNS(=O)(=O)CCNCc1ccc2c(c1)CCN2C.
What is the InChIKey of N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide?
The InChIKey is FFTVTLJJMCOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-16-20(18,19)9-7-15-11-12-4-5-14-13(10-12)6-8-17(14)2/h4-5,10,15-16H,3,6-9,11H2,1-2H3.
What are the key properties of N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide?
N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 103838340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).