2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide

C11H21NO3S — CID 168960053

IUPAC2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC1C(C)[C@@H](CN2CCCS2(=O)=O)O[C@H]1C
InChIInChI=1S/C11H21NO3S/c1-8-9(2)11(15-10(8)3)7-12-5-4-6-16(12,13)14/h8-11H,4-7H2,1-3H3/t8?,9?,10-,11+/m0/s1
InChIKeyAPYRTRQWQBWISX-WFBLGPOFSA-N
MW247.36 g/mol
LogP1.08
Rot. Bonds2

About 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide

2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 168960053) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID168960053
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC1C(C)[C@@H](CN2CCCS2(=O)=O)O[C@H]1C
InChIInChI=1S/C11H21NO3S/c1-8-9(2)11(15-10(8)3)7-12-5-4-6-16(12,13)14/h8-11H,4-7H2,1-3H3/t8?,9?,10-,11+/m0/s1
InChIKeyAPYRTRQWQBWISX-WFBLGPOFSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide with MolForge

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Related Compounds

(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
cis-(1R,3S)-3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine
CID 68832285
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
CID 104550224
5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide
CID 63578676
1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 168757121
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine
CID 166258899
5-[(1,1-dioxothiazinan-2-yl)methyl]oxolane-2-carboxylic acid
CID 116814491
2-(morpholin-3-ylmethyl)thiazinane 1,1-dioxide
CID 103549584
2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 64995065
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 168960053) is 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide is CC1C(C)[C@@H](CN2CCCS2(=O)=O)O[C@H]1C.
What is the InChIKey of 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is APYRTRQWQBWISX-WFBLGPOFSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-8-9(2)11(15-10(8)3)7-12-5-4-6-16(12,13)14/h8-11H,4-7H2,1-3H3/t8?,9?,10-,11+/m0/s1.
What are the key properties of 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 247.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 168960053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).