5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide

C12H19N3O2S — CID 54947295

IUPAC5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCc2cc(N)ccc21
InChIInChI=1S/C12H19N3O2S/c1-9(2)14(3)18(16,17)15-7-6-10-8-11(13)4-5-12(10)15/h4-5,8-9H,6-7,13H2,1-3H3
InChIKeySVGYUXHDMOCEKM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.22
Rot. Bonds3

About 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide

5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide (PubChem CID 54947295) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
PubChem CID54947295
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCc2cc(N)ccc21
InChIInChI=1S/C12H19N3O2S/c1-9(2)14(3)18(16,17)15-7-6-10-8-11(13)4-5-12(10)15/h4-5,8-9H,6-7,13H2,1-3H3
InChIKeySVGYUXHDMOCEKM-UHFFFAOYSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide (CID 54947295) is 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCc2cc(N)ccc21.
What is the InChIKey of 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide?
The InChIKey is SVGYUXHDMOCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(2)14(3)18(16,17)15-7-6-10-8-11(13)4-5-12(10)15/h4-5,8-9H,6-7,13H2,1-3H3.
What are the key properties of 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide?
5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 54947295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).