5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide

C12H17N3O3S — CID 65103687

IUPAC5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3O3S/c1-12(2,16)7-15-19(17,18)11-6-14-10-4-3-8(13)5-9(10)11/h3-6,14-16H,7,13H2,1-2H3
InChIKeySPGBFYIGWGYGCJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.80
Rot. Bonds4

About 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide

5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide (PubChem CID 65103687) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
PubChem CID65103687
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3O3S/c1-12(2,16)7-15-19(17,18)11-6-14-10-4-3-8(13)5-9(10)11/h3-6,14-16H,7,13H2,1-2H3
InChIKeySPGBFYIGWGYGCJ-UHFFFAOYSA-N
XLogP0.80
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
CID 64852859
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
CID 106289403
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide (CID 65103687) is 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide is CC(C)(O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide?
The InChIKey is SPGBFYIGWGYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-12(2,16)7-15-19(17,18)11-6-14-10-4-3-8(13)5-9(10)11/h3-6,14-16H,7,13H2,1-2H3.
What are the key properties of 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide?
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 65103687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).