2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide

C13H25NO2S — CID 58477033

IUPAC2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC1(C)CC[C@H](CN2CCCS2(=O)=O)C1(C)C
InChIInChI=1S/C13H25NO2S/c1-12(2)7-6-11(13(12,3)4)10-14-8-5-9-17(14,15)16/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyQFAZXFCKMMIFGI-LLVKDONJSA-N
MW259.41 g/mol
LogP2.48
Rot. Bonds2

About 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide

2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 58477033) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID58477033
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC1(C)CC[C@H](CN2CCCS2(=O)=O)C1(C)C
InChIInChI=1S/C13H25NO2S/c1-12(2)7-6-11(13(12,3)4)10-14-8-5-9-17(14,15)16/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyQFAZXFCKMMIFGI-LLVKDONJSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 58477033) is 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide is CC1(C)CC[C@H](CN2CCCS2(=O)=O)C1(C)C.
What is the InChIKey of 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is QFAZXFCKMMIFGI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-12(2)7-6-11(13(12,3)4)10-14-8-5-9-17(14,15)16/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 259.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58477033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).