1-(1,3-thiazolidin-3-yl)heptan-1-one

C10H19NOS — CID 166888281

IUPAC1-(1,3-thiazolidin-3-yl)heptan-1-one
SMILESCCCCCCC(=O)N1CCSC1
InChIInChI=1S/C10H19NOS/c1-2-3-4-5-6-10(12)11-7-8-13-9-11/h2-9H2,1H3
InChIKeyAPXYSKQEZYKOGY-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.49
Rot. Bonds5

About 1-(1,3-thiazolidin-3-yl)heptan-1-one

1-(1,3-thiazolidin-3-yl)heptan-1-one (PubChem CID 166888281) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(1,3-thiazolidin-3-yl)heptan-1-one.

Molecular Properties

Compound Name1-(1,3-thiazolidin-3-yl)heptan-1-one
PubChem CID166888281
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(1,3-thiazolidin-3-yl)heptan-1-one
SMILESCCCCCCC(=O)N1CCSC1
InChIInChI=1S/C10H19NOS/c1-2-3-4-5-6-10(12)11-7-8-13-9-11/h2-9H2,1H3
InChIKeyAPXYSKQEZYKOGY-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-thiomorpholin-4-ylhexadecan-1-one
CID 54266223
3-oct-1-en-2-yl-1,3-thiazolidine
CID 135303707
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazolidin-3-yl)heptan-1-one?
The IUPAC name of 1-(1,3-thiazolidin-3-yl)heptan-1-one (CID 166888281) is 1-(1,3-thiazolidin-3-yl)heptan-1-one.
What is the SMILES notation for 1-(1,3-thiazolidin-3-yl)heptan-1-one?
The canonical SMILES for 1-(1,3-thiazolidin-3-yl)heptan-1-one is CCCCCCC(=O)N1CCSC1.
What is the InChIKey of 1-(1,3-thiazolidin-3-yl)heptan-1-one?
The InChIKey is APXYSKQEZYKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-3-4-5-6-10(12)11-7-8-13-9-11/h2-9H2,1H3.
What are the key properties of 1-(1,3-thiazolidin-3-yl)heptan-1-one?
1-(1,3-thiazolidin-3-yl)heptan-1-one has a molecular weight of 201.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazolidin-3-yl)heptan-1-one is sourced from PubChem (CID 166888281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).