6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one

C9H17NO3S — CID 62025074

IUPAC6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
SMILESCC(=O)CCCCN1CCCS1(=O)=O
InChIInChI=1S/C9H17NO3S/c1-9(11)5-2-3-6-10-7-4-8-14(10,12)13/h2-8H2,1H3
InChIKeyWSYWSJJPKMUQJT-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.78
Rot. Bonds5

About 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one

6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one (PubChem CID 62025074) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one.

Molecular Properties

Compound Name6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
PubChem CID62025074
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
SMILESCC(=O)CCCCN1CCCS1(=O)=O
InChIInChI=1S/C9H17NO3S/c1-9(11)5-2-3-6-10-7-4-8-14(10,12)13/h2-8H2,1H3
InChIKeyWSYWSJJPKMUQJT-UHFFFAOYSA-N
XLogP0.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 62228047
methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoate
CID 43620009
4-(1,1-dioxothiazetidin-2-yl)butan-2-one
CID 130965067
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine
CID 61348834
tert-butyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoate
CID 116662651
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
5-(1,1-dioxothiazinan-2-yl)-2-methylpentanoic acid
CID 116814539
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
CID 119244358

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one?
The IUPAC name of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one (CID 62025074) is 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one.
What is the SMILES notation for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one?
The canonical SMILES for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one is CC(=O)CCCCN1CCCS1(=O)=O.
What is the InChIKey of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one?
The InChIKey is WSYWSJJPKMUQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(11)5-2-3-6-10-7-4-8-14(10,12)13/h2-8H2,1H3.
What are the key properties of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one?
6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one has a molecular weight of 219.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one is sourced from PubChem (CID 62025074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).