2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide

C11H19N3O2S — CID 84590517

IUPAC2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCCCc1nccn1CCN1CCCS1(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-2-4-11-12-5-7-13(11)8-9-14-6-3-10-17(14,15)16/h5,7H,2-4,6,8-10H2,1H3
InChIKeyMJBPQWYJGQEBHI-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.87
Rot. Bonds5

About 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide

2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 84590517) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID84590517
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCCCc1nccn1CCN1CCCS1(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-2-4-11-12-5-7-13(11)8-9-14-6-3-10-17(14,15)16/h5,7H,2-4,6,8-10H2,1H3
InChIKeyMJBPQWYJGQEBHI-UHFFFAOYSA-N
XLogP0.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
1-(4-Sulfobutyl)-3-methylimidazolium hydrogen sulfate
CID 11290044
4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
CID 11475374
1-Butyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 87095945
2-(1H-imidazol-1-yl)ethane-1-sulfonamide
CID 115644278
6-Imidazol-1-ylhexane-1-sulfonic acid
CID 12870535
N-[3-(2,3-dimethylimidazol-3-ium-1-yl)propyl]-1,1,1-trifluoro-N-methylmethanesulfonamide chloride
CID 14868946
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
8-Ethylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739158
8-Methylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide (CID 84590517) is 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide is CCCc1nccn1CCN1CCCS1(=O)=O.
What is the InChIKey of 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MJBPQWYJGQEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-4-11-12-5-7-13(11)8-9-14-6-3-10-17(14,15)16/h5,7H,2-4,6,8-10H2,1H3.
What are the key properties of 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 257.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 84590517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).