2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide

C11H23NO3S — CID 67806892

IUPAC2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)OCCC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(2)12-7-5-11(16(12,13)14)6-8-15-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyHNSHGQXKRWEUCG-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.61
Rot. Bonds5

About 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide

2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 67806892) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID67806892
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)OCCC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(2)12-7-5-11(16(12,13)14)6-8-15-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyHNSHGQXKRWEUCG-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
CID 12027298
N-methyl-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 64585156
2-Propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide
CID 67807375
2-Propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide
CID 67807447
(2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine
CID 69110600
1-Ethylsulfonyl-2-(methoxymethyl)pyrrolidine
CID 71325169
(2R)-2-(2-methoxyethyl)-1-propan-2-ylsulfonylpyrrolidine
CID 124033374
(2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine
CID 163719810
2-(4-Methoxypentyl)-1,2-thiazolidine 1,1-dioxide
CID 170129985
N-ethyl-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 61565190
N-ethyl-N-(oxolan-2-ylmethyl)propane-2-sulfonamide
CID 61565191
N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61565192

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide (CID 67806892) is 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide is CC(C)OCCC1CCN(C(C)C)S1(=O)=O.
What is the InChIKey of 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is HNSHGQXKRWEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)12-7-5-11(16(12,13)14)6-8-15-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide?
2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 249.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2-propan-2-yloxyethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67806892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).