1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide

C15H30N2O3S — CID 159975353

IUPAC1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C8H15NO.C7H15NO2S/c1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)8-5-4-6-11(8,9)10/h4-6H2,1-3H3;4-6H2,1-3H3
InChIKeyOFBUKSBLFMMRMP-UHFFFAOYSA-N
MW318.48 g/mol
LogP2.23
Rot. Bonds

About 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide

1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 159975353) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
PubChem CID159975353
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C8H15NO.C7H15NO2S/c1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)8-5-4-6-11(8,9)10/h4-6H2,1-3H3;4-6H2,1-3H3
InChIKeyOFBUKSBLFMMRMP-UHFFFAOYSA-N
XLogP2.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 158323141
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161035716
2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide
CID 58910215
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine
CID 117029844
1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
CID 122459061
1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 130210872
methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate
CID 71252862
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanoic acid
CID 64700411
2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide
CID 116816826
2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one
CID 117029939

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide (CID 159975353) is 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide is CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCS1(=O)=O.
What is the InChIKey of 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is OFBUKSBLFMMRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C7H15NO2S/c1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)8-5-4-6-11(8,9)10/h4-6H2,1-3H3;4-6H2,1-3H3.
What are the key properties of 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 318.48 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 159975353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).