5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol

C10H21NO3S — CID 106146168

IUPAC5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CN1CCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-10(2,5-3-7-12)9-11-6-4-8-15(11,13)14/h12H,3-9H2,1-2H3
InChIKeyWOTWWJANUMHDMH-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds5

About 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol

5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol (PubChem CID 106146168) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol
PubChem CID106146168
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CN1CCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-10(2,5-3-7-12)9-11-6-4-8-15(11,13)14/h12H,3-9H2,1-2H3
InChIKeyWOTWWJANUMHDMH-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
CID 106146109
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-1-ol
CID 106145959
3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
CID 116816741
2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 64995065
5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 62228047
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol
CID 106253912
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile
CID 65257590
1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione
CID 106146212
6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
CID 62025074
tert-butyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoate
CID 116662651

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol (CID 106146168) is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CN1CCCS1(=O)=O.
What is the InChIKey of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is WOTWWJANUMHDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,5-3-7-12)9-11-6-4-8-15(11,13)14/h12H,3-9H2,1-2H3.
What are the key properties of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol?
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106146168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).