3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide

C13H19N3O2S — CID 107235566

IUPAC3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
SMILESCn1cc(CNCCCS(N)(=O)=O)c2ccccc21
InChIInChI=1S/C13H19N3O2S/c1-16-10-11(12-5-2-3-6-13(12)16)9-15-7-4-8-19(14,17)18/h2-3,5-6,10,15H,4,7-9H2,1H3,(H2,14,17,18)
InChIKeyRXANNYHRQDKKDN-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.95
Rot. Bonds6

About 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide

3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide (PubChem CID 107235566) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
PubChem CID107235566
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
SMILESCn1cc(CNCCCS(N)(=O)=O)c2ccccc21
InChIInChI=1S/C13H19N3O2S/c1-16-10-11(12-5-2-3-6-13(12)16)9-15-7-4-8-19(14,17)18/h2-3,5-6,10,15H,4,7-9H2,1H3,(H2,14,17,18)
InChIKeyRXANNYHRQDKKDN-UHFFFAOYSA-N
XLogP0.95
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine
CID 107236269
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide?
The IUPAC name of 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide (CID 107235566) is 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide?
The canonical SMILES for 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide is Cn1cc(CNCCCS(N)(=O)=O)c2ccccc21.
What is the InChIKey of 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide?
The InChIKey is RXANNYHRQDKKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-16-10-11(12-5-2-3-6-13(12)16)9-15-7-4-8-19(14,17)18/h2-3,5-6,10,15H,4,7-9H2,1H3,(H2,14,17,18).
What are the key properties of 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide?
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide is sourced from PubChem (CID 107235566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).