5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide

C13H15N3O2S — CID 64852272

IUPAC5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H15N3O2S/c1-4-13(2,3)16-19(17,18)12-8-15-11-6-5-9(14)7-10(11)12/h1,5-8,15-16H,14H2,2-3H3
InChIKeyNLEPYKLAVMUTFQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.44
Rot. Bonds3

About 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide

5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide (PubChem CID 64852272) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
PubChem CID64852272
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H15N3O2S/c1-4-13(2,3)16-19(17,18)12-8-15-11-6-5-9(14)7-10(11)12/h1,5-8,15-16H,14H2,2-3H3
InChIKeyNLEPYKLAVMUTFQ-UHFFFAOYSA-N
XLogP1.44
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-N-(4-fluorophenyl)-1H-indole-3-sulfonamide
CID 64853032
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 64851493
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide
CID 64851285
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
CID 64852644
5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 103093895

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide (CID 64852272) is 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide is C#CC(C)(C)NS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide?
The InChIKey is NLEPYKLAVMUTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-13(2,3)16-19(17,18)12-8-15-11-6-5-9(14)7-10(11)12/h1,5-8,15-16H,14H2,2-3H3.
What are the key properties of 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide?
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64852272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).