3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine

C15H21N3O2S — CID 83218690

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
SMILESCCC1CCC(C)N1S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H21N3O2S/c1-3-12-6-4-10(2)18(12)21(19,20)15-9-17-14-7-5-11(16)8-13(14)15/h5,7-10,12,17H,3-4,6,16H2,1-2H3
InChIKeyVGVALUQXKXHZDV-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.70
Rot. Bonds3

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine

3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine (PubChem CID 83218690) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
PubChem CID83218690
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
SMILESCCC1CCC(C)N1S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H21N3O2S/c1-3-12-6-4-10(2)18(12)21(19,20)15-9-17-14-7-5-11(16)8-13(14)15/h5,7-10,12,17H,3-4,6,16H2,1-2H3
InChIKeyVGVALUQXKXHZDV-UHFFFAOYSA-N
XLogP2.70
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol
CID 64851482
3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
CID 64852644
4-[(5-amino-1H-indol-3-yl)sulfonyl]piperazine-2,6-dione
CID 66085638
5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64850304
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
CID 114407791
2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 114796832
3-morpholin-4-ylsulfonyl-1H-indol-5-amine
CID 14736107
4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 83217894
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492008
2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
CID 83228170
1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83220667
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
CID 64851686

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine (CID 83218690) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine is CCC1CCC(C)N1S(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine?
The InChIKey is VGVALUQXKXHZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-12-6-4-10(2)18(12)21(19,20)15-9-17-14-7-5-11(16)8-13(14)15/h5,7-10,12,17H,3-4,6,16H2,1-2H3.
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine?
3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine has a molecular weight of 307.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine is sourced from PubChem (CID 83218690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).