5-decyl-1,3-thiazolidine

C13H27NS — CID 175294789

IUPAC5-decyl-1,3-thiazolidine
SMILESCCCCCCCCCCC1CNCS1
InChIInChI=1S/C13H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-14-12-15-13/h13-14H,2-12H2,1H3
InChIKeyBXZVSSHPQDQWJJ-UHFFFAOYSA-N
MW229.43 g/mol
LogP4.18
Rot. Bonds9

About 5-decyl-1,3-thiazolidine

5-decyl-1,3-thiazolidine (PubChem CID 175294789) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 5-decyl-1,3-thiazolidine.

Molecular Properties

Compound Name5-decyl-1,3-thiazolidine
PubChem CID175294789
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name5-decyl-1,3-thiazolidine
SMILESCCCCCCCCCCC1CNCS1
InChIInChI=1S/C13H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-14-12-15-13/h13-14H,2-12H2,1H3
InChIKeyBXZVSSHPQDQWJJ-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexylthiomorpholine;hydrochloride
CID 175272280
2-nonylthietane
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3-hexylazetidine
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2-dodecylthiane
CID 14420052
4-pentyl-1,3-dithiolane
CID 174302072
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
2-pentylaziridine
CID 19101061
2,4-dipentyl-1,3-oxathiolane
CID 67811965
(4S)-3-methyl-4-nonylpyrrolidine
CID 118011662
3-dodecyldithiolane
CID 89268246
5-pentyl-1,3-oxazolidine
CID 67960435
(2S)-4-fluoro-2-heptylthiane
CID 154715733

Frequently Asked Questions

What is the IUPAC name of 5-decyl-1,3-thiazolidine?
The IUPAC name of 5-decyl-1,3-thiazolidine (CID 175294789) is 5-decyl-1,3-thiazolidine.
What is the SMILES notation for 5-decyl-1,3-thiazolidine?
The canonical SMILES for 5-decyl-1,3-thiazolidine is CCCCCCCCCCC1CNCS1.
What is the InChIKey of 5-decyl-1,3-thiazolidine?
The InChIKey is BXZVSSHPQDQWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-14-12-15-13/h13-14H,2-12H2,1H3.
What are the key properties of 5-decyl-1,3-thiazolidine?
5-decyl-1,3-thiazolidine has a molecular weight of 229.43 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-1,3-thiazolidine is sourced from PubChem (CID 175294789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).