5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole

C17H17N3O2S2 — CID 160862869

IUPAC5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole
SMILESO=S(=O)(Cc1ncns1)c1ccc2c(C3CCCN3)cccc2c1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,10-17-19-11-20-23-17)13-6-7-14-12(9-13)3-1-4-15(14)16-5-2-8-18-16/h1,3-4,6-7,9,11,16,18H,2,5,8,10H2
InChIKeyROOKUIZSZDDVHI-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.09
Rot. Bonds4

About 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole

5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole (PubChem CID 160862869) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole
PubChem CID160862869
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole
SMILESO=S(=O)(Cc1ncns1)c1ccc2c(C3CCCN3)cccc2c1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,10-17-19-11-20-23-17)13-6-7-14-12(9-13)3-1-4-15(14)16-5-2-8-18-16/h1,3-4,6-7,9,11,16,18H,2,5,8,10H2
InChIKeyROOKUIZSZDDVHI-UHFFFAOYSA-N
XLogP3.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
2-naphthalen-1-ylpiperidine
CID 4209523
(2S)-2-naphthalen-1-ylazepane
CID 7048283
2-(benzenesulfonylmethyl)-5-pyrrolidin-2-yl-1,3,4-thiadiazole;hydrochloride
CID 139893775
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
(2S)-2-(1-benzothiophen-7-yl)pyrrolidine
CID 97053087
2-(1-benzothiophen-4-yl)pyrrolidine
CID 130002053
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
(2R)-2-pyren-1-ylazetidine;hydrochloride
CID 171197548
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
2-[2-[(2S)-pyrrolidin-2-yl]phenyl]pyridine;hydrochloride
CID 164551354

Frequently Asked Questions

What is the IUPAC name of 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole?
The IUPAC name of 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole (CID 160862869) is 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole is O=S(=O)(Cc1ncns1)c1ccc2c(C3CCCN3)cccc2c1.
What is the InChIKey of 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole?
The InChIKey is ROOKUIZSZDDVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-24(22,10-17-19-11-20-23-17)13-6-7-14-12(9-13)3-1-4-15(14)16-5-2-8-18-16/h1,3-4,6-7,9,11,16,18H,2,5,8,10H2.
What are the key properties of 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole?
5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole has a molecular weight of 359.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-pyrrolidin-2-ylnaphthalen-2-yl)sulfonylmethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 160862869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).