4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole

C17H18N2O2S2 — CID 24774937

IUPAC4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole
SMILESO=S(=O)(c1cccs1)n1ccc2c(CN3CCCC3)cccc21
InChIInChI=1S/C17H18N2O2S2/c20-23(21,17-7-4-12-22-17)19-11-8-15-14(5-3-6-16(15)19)13-18-9-1-2-10-18/h3-8,11-12H,1-2,9-10,13H2
InChIKeyFWNNVNPKOUDNKW-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.54
Rot. Bonds4

About 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole

4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole (PubChem CID 24774937) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole
PubChem CID24774937
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole
SMILESO=S(=O)(c1cccs1)n1ccc2c(CN3CCCC3)cccc21
InChIInChI=1S/C17H18N2O2S2/c20-23(21,17-7-4-12-22-17)19-11-8-15-14(5-3-6-16(15)19)13-18-9-1-2-10-18/h3-8,11-12H,1-2,9-10,13H2
InChIKeyFWNNVNPKOUDNKW-UHFFFAOYSA-N
XLogP3.54
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
CID 24967099
1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965682
1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965679
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455
1-pyridin-3-ylsulfonyl-4-(pyrrolidin-1-ylmethyl)indole;bis(2,2,2-trifluoroacetic acid)
CID 87547031
1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
CID 68544798
1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
CID 24775196
1-thiophen-2-ylsulfonylpiperidine
CID 765823
[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 24775577
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole (CID 24774937) is 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole is O=S(=O)(c1cccs1)n1ccc2c(CN3CCCC3)cccc21.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole?
The InChIKey is FWNNVNPKOUDNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c20-23(21,17-7-4-12-22-17)19-11-8-15-14(5-3-6-16(15)19)13-18-9-1-2-10-18/h3-8,11-12H,1-2,9-10,13H2.
What are the key properties of 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole?
4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole has a molecular weight of 346.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole is sourced from PubChem (CID 24774937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).