5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

C11H23NO3S — CID 67807469

IUPAC5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CCOC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(2)6-8-15-11-5-7-12(10(3)4)16(11,13)14/h9-11H,5-8H2,1-4H3
InChIKeyCEDOUBBHJJPUCW-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.82
Rot. Bonds5

About 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 67807469) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID67807469
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CCOC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(2)6-8-15-11-5-7-12(10(3)4)16(11,13)14/h9-11H,5-8H2,1-4H3
InChIKeyCEDOUBBHJJPUCW-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Methylpropoxymethyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67806883
4-(2-Methylpropoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67807371
2-Propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide
CID 67807375
5-(2-Methylpropoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67807727
2-Propan-2-yl-4-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide
CID 67807771
3-(Ethoxymethyl)-1-methylsulfonylpyrrolidine
CID 127402950
N-methyl-N-propan-2-yloxolane-3-sulfonamide
CID 131084597
3-(1-Methylsulfanylethoxymethyl)-1-methylsulfonylpyrrolidine
CID 155484874
N-cyclopropyl-N-(oxolan-3-ylmethyl)propane-2-sulfonamide
CID 61356525
N-cyclopropyl-N-(oxolan-3-ylmethyl)ethanesulfonamide
CID 61356526
N-cyclopropyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide
CID 61383754
N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide
CID 62045787

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 67807469) is 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is CC(C)CCOC1CCN(C(C)C)S1(=O)=O.
What is the InChIKey of 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CEDOUBBHJJPUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)6-8-15-11-5-7-12(10(3)4)16(11,13)14/h9-11H,5-8H2,1-4H3.
What are the key properties of 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 249.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutoxy)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67807469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).