5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol

C8H17NO3S — CID 62228047

IUPAC5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
SMILESO=S1(=O)CCCN1CCCCCO
InChIInChI=1S/C8H17NO3S/c10-7-3-1-2-5-9-6-4-8-13(9,11)12/h10H,1-8H2
InChIKeySILTXGKJGZUVFN-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds5

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

5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol (PubChem CID 62228047) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
PubChem CID62228047
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
SMILESO=S1(=O)CCCN1CCCCCO
InChIInChI=1S/C8H17NO3S/c10-7-3-1-2-5-9-6-4-8-13(9,11)12/h10H,1-8H2
InChIKeySILTXGKJGZUVFN-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
CID 62025074
(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol
CID 106304953
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol
CID 106146168
methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
CID 43620009
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
2-(1,1-dioxothiazetidin-2-yl)ethanol
CID 12959041
3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol
CID 66781360
5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
CID 106146109
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine
CID 61348834
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol
CID 75433321

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol?
The IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol (CID 62228047) is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol?
The canonical SMILES for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol is O=S1(=O)CCCN1CCCCCO.
What is the InChIKey of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol?
The InChIKey is SILTXGKJGZUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c10-7-3-1-2-5-9-6-4-8-13(9,11)12/h10H,1-8H2.
What are the key properties of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol?
5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 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)pentan-1-ol is sourced from PubChem (CID 62228047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).