3-(3-methylbutyl)-1,3-thiazolidine

C8H17NS — CID 59761854

IUPAC3-(3-methylbutyl)-1,3-thiazolidine
SMILESCC(C)CCN1CCSC1
InChIInChI=1S/C8H17NS/c1-8(2)3-4-9-5-6-10-7-9/h8H,3-7H2,1-2H3
InChIKeyUYZZCQTXPHRLII-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.04
Rot. Bonds3

About 3-(3-methylbutyl)-1,3-thiazolidine

3-(3-methylbutyl)-1,3-thiazolidine (PubChem CID 59761854) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-(3-methylbutyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3-methylbutyl)-1,3-thiazolidine
PubChem CID59761854
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-(3-methylbutyl)-1,3-thiazolidine
SMILESCC(C)CCN1CCSC1
InChIInChI=1S/C8H17NS/c1-8(2)3-4-9-5-6-10-7-9/h8H,3-7H2,1-2H3
InChIKeyUYZZCQTXPHRLII-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-1,3-thiazolidine?
The IUPAC name of 3-(3-methylbutyl)-1,3-thiazolidine (CID 59761854) is 3-(3-methylbutyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3-methylbutyl)-1,3-thiazolidine?
The canonical SMILES for 3-(3-methylbutyl)-1,3-thiazolidine is CC(C)CCN1CCSC1.
What is the InChIKey of 3-(3-methylbutyl)-1,3-thiazolidine?
The InChIKey is UYZZCQTXPHRLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2)3-4-9-5-6-10-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)-1,3-thiazolidine?
3-(3-methylbutyl)-1,3-thiazolidine has a molecular weight of 159.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-1,3-thiazolidine is sourced from PubChem (CID 59761854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).