6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide

C13H17N3O2S — CID 106180453

IUPAC6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O2S/c1-9(2)5-6-16-19(17,18)13-8-15-12-7-10(14)3-4-11(12)13/h3-5,7-8,15-16H,6,14H2,1-2H3
InChIKeyQRTNCXXSCJQKJV-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.99
Rot. Bonds4

About 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide

6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide (PubChem CID 106180453) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
PubChem CID106180453
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O2S/c1-9(2)5-6-16-19(17,18)13-8-15-12-7-10(14)3-4-11(12)13/h3-5,7-8,15-16H,6,14H2,1-2H3
InChIKeyQRTNCXXSCJQKJV-UHFFFAOYSA-N
XLogP1.99
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
CID 106191063
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
CID 102694358
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
CID 106289403
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
6-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-indole-3-sulfonamide
CID 80727103
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide
CID 106208511
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide (CID 106180453) is 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide is CC(C)=CCNS(=O)(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide?
The InChIKey is QRTNCXXSCJQKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(2)5-6-16-19(17,18)13-8-15-12-7-10(14)3-4-11(12)13/h3-5,7-8,15-16H,6,14H2,1-2H3.
What are the key properties of 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide?
6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 106180453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).