2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol

C14H19N3O3S — CID 114796832

IUPAC2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
SMILESNc1ccc2[nH]cc(S(=O)(=O)N3CCC(CCO)C3)c2c1
InChIInChI=1S/C14H19N3O3S/c15-11-1-2-13-12(7-11)14(8-16-13)21(19,20)17-5-3-10(9-17)4-6-18/h1-2,7-8,10,16,18H,3-6,9,15H2
InChIKeyWRJNCXLESIGTAK-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol

2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol (PubChem CID 114796832) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
PubChem CID114796832
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
SMILESNc1ccc2[nH]cc(S(=O)(=O)N3CCC(CCO)C3)c2c1
InChIInChI=1S/C14H19N3O3S/c15-11-1-2-13-12(7-11)14(8-16-13)21(19,20)17-5-3-10(9-17)4-6-18/h1-2,7-8,10,16,18H,3-6,9,15H2
InChIKeyWRJNCXLESIGTAK-UHFFFAOYSA-N
XLogP1.14
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol (CID 114796832) is 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol is Nc1ccc2[nH]cc(S(=O)(=O)N3CCC(CCO)C3)c2c1.
What is the InChIKey of 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol?
The InChIKey is WRJNCXLESIGTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-11-1-2-13-12(7-11)14(8-16-13)21(19,20)17-5-3-10(9-17)4-6-18/h1-2,7-8,10,16,18H,3-6,9,15H2.
What are the key properties of 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol?
2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol has a molecular weight of 309.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114796832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).