3-oct-1-en-2-yl-1,3-thiazolidine

C11H21NS — CID 135303707

IUPAC3-oct-1-en-2-yl-1,3-thiazolidine
SMILESC=C(CCCCCC)N1CCSC1
InChIInChI=1S/C11H21NS/c1-3-4-5-6-7-11(2)12-8-9-13-10-12/h2-10H2,1H3
InChIKeyYHHVEMMRBMAXJG-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.48
Rot. Bonds6

About 3-oct-1-en-2-yl-1,3-thiazolidine

3-oct-1-en-2-yl-1,3-thiazolidine (PubChem CID 135303707) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-oct-1-en-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-oct-1-en-2-yl-1,3-thiazolidine
PubChem CID135303707
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-oct-1-en-2-yl-1,3-thiazolidine
SMILESC=C(CCCCCC)N1CCSC1
InChIInChI=1S/C11H21NS/c1-3-4-5-6-7-11(2)12-8-9-13-10-12/h2-10H2,1H3
InChIKeyYHHVEMMRBMAXJG-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.48
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

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1-hex-1-en-2-ylpyrrolidine
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1-hept-1-en-2-yl-3-methylpyrrolidine
CID 89279754
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
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6-methylidenetetradecane
CID 21477883
(E)-4-methylideneundec-2-ene
CID 13425645
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
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Frequently Asked Questions

What is the IUPAC name of 3-oct-1-en-2-yl-1,3-thiazolidine?
The IUPAC name of 3-oct-1-en-2-yl-1,3-thiazolidine (CID 135303707) is 3-oct-1-en-2-yl-1,3-thiazolidine.
What is the SMILES notation for 3-oct-1-en-2-yl-1,3-thiazolidine?
The canonical SMILES for 3-oct-1-en-2-yl-1,3-thiazolidine is C=C(CCCCCC)N1CCSC1.
What is the InChIKey of 3-oct-1-en-2-yl-1,3-thiazolidine?
The InChIKey is YHHVEMMRBMAXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-4-5-6-7-11(2)12-8-9-13-10-12/h2-10H2,1H3.
What are the key properties of 3-oct-1-en-2-yl-1,3-thiazolidine?
3-oct-1-en-2-yl-1,3-thiazolidine has a molecular weight of 199.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-1-en-2-yl-1,3-thiazolidine is sourced from PubChem (CID 135303707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).