[1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol

C20H22N2OS — CID 144724758

IUPAC[1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2cc3cc(-c4cccc(S)c4)ccc3[nH]2)C1
InChIInChI=1S/C20H22N2OS/c23-13-14-6-7-22(11-14)12-18-9-17-8-16(4-5-20(17)21-18)15-2-1-3-19(24)10-15/h1-5,8-10,14,21,23-24H,6-7,11-13H2
InChIKeyBPBNODLDAOHCCJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.94
Rot. Bonds4

About [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol

[1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 144724758) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID144724758
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name[1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2cc3cc(-c4cccc(S)c4)ccc3[nH]2)C1
InChIInChI=1S/C20H22N2OS/c23-13-14-6-7-22(11-14)12-18-9-17-8-16(4-5-20(17)21-18)15-2-1-3-19(24)10-15/h1-5,8-10,14,21,23-24H,6-7,11-13H2
InChIKeyBPBNODLDAOHCCJ-UHFFFAOYSA-N
XLogP3.94
TPSA39.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol 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 [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol (CID 144724758) is [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2cc3cc(-c4cccc(S)c4)ccc3[nH]2)C1.
What is the InChIKey of [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is BPBNODLDAOHCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-13-14-6-7-22(11-14)12-18-9-17-8-16(4-5-20(17)21-18)15-2-1-3-19(24)10-15/h1-5,8-10,14,21,23-24H,6-7,11-13H2.
What are the key properties of [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol?
[1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 338.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(3-sulfanylphenyl)-1H-indol-2-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 144724758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).