5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide

C11H15N3O3S — CID 64853230

IUPAC5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCCCO)c2c1
InChIInChI=1S/C11H15N3O3S/c12-8-2-3-10-9(6-8)11(7-13-10)18(16,17)14-4-1-5-15/h2-3,6-7,13-15H,1,4-5,12H2
InChIKeyOAOROMLNMRNFKF-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.41
Rot. Bonds5

About 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide

5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide (PubChem CID 64853230) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
PubChem CID64853230
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCCCO)c2c1
InChIInChI=1S/C11H15N3O3S/c12-8-2-3-10-9(6-8)11(7-13-10)18(16,17)14-4-1-5-15/h2-3,6-7,13-15H,1,4-5,12H2
InChIKeyOAOROMLNMRNFKF-UHFFFAOYSA-N
XLogP0.41
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
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-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
CID 64852859
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide (CID 64853230) is 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide is Nc1ccc2[nH]cc(S(=O)(=O)NCCCO)c2c1.
What is the InChIKey of 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide?
The InChIKey is OAOROMLNMRNFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-8-2-3-10-9(6-8)11(7-13-10)18(16,17)14-4-1-5-15/h2-3,6-7,13-15H,1,4-5,12H2.
What are the key properties of 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide?
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64853230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).