3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine

C13H17N3O3S — CID 103530237

IUPAC3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
SMILESCOC1CCN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1
InChIInChI=1S/C13H17N3O3S/c1-19-10-4-5-16(8-10)20(17,18)13-7-15-12-6-9(14)2-3-11(12)13/h2-3,6-7,10,15H,4-5,8,14H2,1H3
InChIKeyRYVILKVNSYBFEI-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.16
Rot. Bonds3

About 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine

3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine (PubChem CID 103530237) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
PubChem CID103530237
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
SMILESCOC1CCN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1
InChIInChI=1S/C13H17N3O3S/c1-19-10-4-5-16(8-10)20(17,18)13-7-15-12-6-9(14)2-3-11(12)13/h2-3,6-7,10,15H,4-5,8,14H2,1H3
InChIKeyRYVILKVNSYBFEI-UHFFFAOYSA-N
XLogP1.16
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine (CID 103530237) is 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine is COC1CCN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine?
The InChIKey is RYVILKVNSYBFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-19-10-4-5-16(8-10)20(17,18)13-7-15-12-6-9(14)2-3-11(12)13/h2-3,6-7,10,15H,4-5,8,14H2,1H3.
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine?
3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine has a molecular weight of 295.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine is sourced from PubChem (CID 103530237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).