(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine

C17H19NO2S2 — CID 949906

IUPAC(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCS(=O)(=O)N1CCS[C@H]1c1ccc2c3c(cccc13)CCC2
InChIInChI=1S/C17H19NO2S2/c1-22(19,20)18-10-11-21-17(18)15-9-8-13-5-2-4-12-6-3-7-14(15)16(12)13/h3,6-9,17H,2,4-5,10-11H2,1H3/t17-/m0/s1
InChIKeyFXCOUJCIZDDIED-KRWDZBQOSA-N
MW333.48 g/mol
LogP3.34
Rot. Bonds2

About (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine

(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine (PubChem CID 949906) has the molecular formula C17H19NO2S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine
PubChem CID949906
Molecular FormulaC17H19NO2S2
Molecular Weight333.48 g/mol
Exact Mass333.09
IUPAC Name(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCS(=O)(=O)N1CCS[C@H]1c1ccc2c3c(cccc13)CCC2
InChIInChI=1S/C17H19NO2S2/c1-22(19,20)18-10-11-21-17(18)15-9-8-13-5-2-4-12-6-3-7-14(15)16(12)13/h3,6-9,17H,2,4-5,10-11H2,1H3/t17-/m0/s1
InChIKeyFXCOUJCIZDDIED-KRWDZBQOSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 1118464
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1038354
2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 2876838
2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol
CID 13151050
3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 45076736
2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine
CID 45076728
[(2R)-2-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 2225955
3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 45076731
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330885
2-(2-methoxyphenyl)-3-naphthalen-1-ylsulfonyl-1,3-thiazolidine
CID 3930922
(4aR,8aR)-6-bromo-3-[(2R)-2-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazolidine-3-carbonyl]-4a,8a-dihydrochromen-2-one
CID 2225888
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine (CID 949906) is (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine is CS(=O)(=O)N1CCS[C@H]1c1ccc2c3c(cccc13)CCC2.
What is the InChIKey of (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine?
The InChIKey is FXCOUJCIZDDIED-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO2S2/c1-22(19,20)18-10-11-21-17(18)15-9-8-13-5-2-4-12-6-3-7-14(15)16(12)13/h3,6-9,17H,2,4-5,10-11H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine?
(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine has a molecular weight of 333.48 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 949906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).