1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol

C10H21NO3S — CID 107155459

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CN1CCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-10(2,3)7-9(12)8-11-5-4-6-15(11,13)14/h9,12H,4-8H2,1-3H3
InChIKeyMJJRPEPJDBIBRH-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds3

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol

1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol (PubChem CID 107155459) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol
PubChem CID107155459
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CN1CCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-10(2,3)7-9(12)8-11-5-4-6-15(11,13)14/h9,12H,4-8H2,1-3H3
InChIKeyMJJRPEPJDBIBRH-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-Dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol
CID 131037280
1-(3-Fluoropropylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
CID 128160624
1-Tert-butylsulfonyl-5-methylpyrrolidin-3-ol
CID 68353252
3-(7-Hydroxy-5-azaspiro[2.4]heptane-5-yl)propylmethanesulfonate
CID 86645607
1-Tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol
CID 115275347
1-Ethylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 145766796
1-(1-Tert-butylcyclopropyl)sulfonylpyrrolidin-3-ol
CID 160885028
1-[(1-Methylcyclopropyl)methylsulfonyl]pyrrolidin-3-ol
CID 163670901
1-Methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 177109205
1-(3-Methylbutylsulfonyl)pyrrolidin-3-ol
CID 63857865
[1-(2,2-Dimethylpropylsulfonyl)pyrrolidin-2-yl]methanol
CID 64476988
1-(2,2-Dimethylpropylsulfonyl)pyrrolidin-3-ol
CID 64479234

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol (CID 107155459) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CN1CCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol?
The InChIKey is MJJRPEPJDBIBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)7-9(12)8-11-5-4-6-15(11,13)14/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107155459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).