1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole

C17H18N2O2S2 — CID 10450335

IUPAC1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole
SMILESO=S(=O)(c1ccsc1)c1cn(CC2CCNC2)c2ccccc12
InChIInChI=1S/C17H18N2O2S2/c20-23(21,14-6-8-22-12-14)17-11-19(10-13-5-7-18-9-13)16-4-2-1-3-15(16)17/h1-4,6,8,11-13,18H,5,7,9-10H2
InChIKeyHOQQCESJEGCMDF-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.15
Rot. Bonds4

About 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole

1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole (PubChem CID 10450335) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole
PubChem CID10450335
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole
SMILESO=S(=O)(c1ccsc1)c1cn(CC2CCNC2)c2ccccc12
InChIInChI=1S/C17H18N2O2S2/c20-23(21,14-6-8-22-12-14)17-11-19(10-13-5-7-18-9-13)16-4-2-1-3-15(16)17/h1-4,6,8,11-13,18H,5,7,9-10H2
InChIKeyHOQQCESJEGCMDF-UHFFFAOYSA-N
XLogP3.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole (CID 10450335) is 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole is O=S(=O)(c1ccsc1)c1cn(CC2CCNC2)c2ccccc12.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole?
The InChIKey is HOQQCESJEGCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c20-23(21,14-6-8-22-12-14)17-11-19(10-13-5-7-18-9-13)16-4-2-1-3-15(16)17/h1-4,6,8,11-13,18H,5,7,9-10H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole?
1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole has a molecular weight of 346.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)-3-thiophen-3-ylsulfonylindole is sourced from PubChem (CID 10450335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).