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

C7H15NO3S — CID 43620086

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
SMILESO=S1(=O)CCCN1CCCCO
InChIInChI=1S/C7H15NO3S/c9-6-2-1-4-8-5-3-7-12(8,10)11/h9H,1-7H2
InChIKeyTYKMBDNVKXBSHG-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.21
Rot. Bonds4

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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol (PubChem CID 43620086) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
PubChem CID43620086
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
SMILESO=S1(=O)CCCN1CCCCO
InChIInChI=1S/C7H15NO3S/c9-6-2-1-4-8-5-3-7-12(8,10)11/h9H,1-7H2
InChIKeyTYKMBDNVKXBSHG-UHFFFAOYSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.21
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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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol (CID 43620086) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol is O=S1(=O)CCCN1CCCCO.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The InChIKey is TYKMBDNVKXBSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c9-6-2-1-4-8-5-3-7-12(8,10)11/h9H,1-7H2.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol has a molecular weight of 193.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol is sourced from PubChem (CID 43620086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).