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

C13H19N3O3S2 — CID 106242702

IUPAC5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H19N3O3S2/c1-13(17,8-20-2)7-16-21(18,19)12-6-15-11-4-3-9(14)5-10(11)12/h3-6,15-17H,7-8,14H2,1-2H3
InChIKeyYRWGIWVMSIUQFL-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.14
Rot. Bonds6

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

5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide (PubChem CID 106242702) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
PubChem CID106242702
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC Name5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H19N3O3S2/c1-13(17,8-20-2)7-16-21(18,19)12-6-15-11-4-3-9(14)5-10(11)12/h3-6,15-17H,7-8,14H2,1-2H3
InChIKeyYRWGIWVMSIUQFL-UHFFFAOYSA-N
XLogP1.14
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242782
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
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
2-amino-4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242744
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272
3-amino-4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242953

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide (CID 106242702) is 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide is CSCC(C)(O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide?
The InChIKey is YRWGIWVMSIUQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-13(17,8-20-2)7-16-21(18,19)12-6-15-11-4-3-9(14)5-10(11)12/h3-6,15-17H,7-8,14H2,1-2H3.
What are the key properties of 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide?
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 106242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).