3-butyl-2-(2-methylpropyl)-1,3-thiazolidine

C11H23NS — CID 13356759

IUPAC3-butyl-2-(2-methylpropyl)-1,3-thiazolidine
SMILESCCCCN1CCSC1CC(C)C
InChIInChI=1S/C11H23NS/c1-4-5-6-12-7-8-13-11(12)9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyIROQERDQELELSE-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.21
Rot. Bonds5

About 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine

3-butyl-2-(2-methylpropyl)-1,3-thiazolidine (PubChem CID 13356759) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-butyl-2-(2-methylpropyl)-1,3-thiazolidine
PubChem CID13356759
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-butyl-2-(2-methylpropyl)-1,3-thiazolidine
SMILESCCCCN1CCSC1CC(C)C
InChIInChI=1S/C11H23NS/c1-4-5-6-12-7-8-13-11(12)9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyIROQERDQELELSE-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazolidine, 3-(3-(butylthio)propyl)-, hydrochloride
CID 3038842
3,5-Dimethyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
CID 91439838
3-(5-Pentylsulfanylpentyl)-1,3-thiazolidine
CID 218550
3-(3-Butylsulfanylpropyl)-1,3-thiazolidine
CID 3038843
3-(5-Propylsulfanylpentyl)-1,3-thiazolidine
CID 3038855
3-(5-Butylsulfanylpentyl)-1,3-thiazolidine
CID 3038857
3-Fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine
CID 130685001
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757
3-Butyl-2-propyl-1,3-thiazolidine
CID 13356758
5,5-Dimethyl-3-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine
CID 9877794
5,5-Dimethyl-3-(2-methylpropyl)-1,3-thiazolidine
CID 9898960

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine?
The IUPAC name of 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine (CID 13356759) is 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine.
What is the SMILES notation for 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine?
The canonical SMILES for 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine is CCCCN1CCSC1CC(C)C.
What is the InChIKey of 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine?
The InChIKey is IROQERDQELELSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-5-6-12-7-8-13-11(12)9-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine?
3-butyl-2-(2-methylpropyl)-1,3-thiazolidine has a molecular weight of 201.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2-methylpropyl)-1,3-thiazolidine is sourced from PubChem (CID 13356759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).