3-naphthalen-1-ylsulfonyl-1,3-thiazolidine

C13H13NO2S2 — CID 1311300

IUPAC3-naphthalen-1-ylsulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCSC1
InChIInChI=1S/C13H13NO2S2/c15-18(16,14-8-9-17-10-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2
InChIKeyWPKJOTVOEGUKOZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.53
Rot. Bonds2

About 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine

3-naphthalen-1-ylsulfonyl-1,3-thiazolidine (PubChem CID 1311300) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfonyl-1,3-thiazolidine
PubChem CID1311300
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name3-naphthalen-1-ylsulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCSC1
InChIInChI=1S/C13H13NO2S2/c15-18(16,14-8-9-17-10-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2
InChIKeyWPKJOTVOEGUKOZ-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine?
The IUPAC name of 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine (CID 1311300) is 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine is O=S(=O)(c1cccc2ccccc12)N1CCSC1.
What is the InChIKey of 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine?
The InChIKey is WPKJOTVOEGUKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c15-18(16,14-8-9-17-10-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2.
What are the key properties of 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine?
3-naphthalen-1-ylsulfonyl-1,3-thiazolidine has a molecular weight of 279.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1311300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).