3-(3,3-dimethylbutyl)-1,3-thiazolidine

C9H19NS — CID 20774319

IUPAC3-(3,3-dimethylbutyl)-1,3-thiazolidine
SMILESCC(C)(C)CCN1CCSC1
InChIInChI=1S/C9H19NS/c1-9(2,3)4-5-10-6-7-11-8-10/h4-8H2,1-3H3
InChIKeyMXDOMUJRSZTPDM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.43
Rot. Bonds2

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

3-(3,3-dimethylbutyl)-1,3-thiazolidine (PubChem CID 20774319) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-1,3-thiazolidine
PubChem CID20774319
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-(3,3-dimethylbutyl)-1,3-thiazolidine
SMILESCC(C)(C)CCN1CCSC1
InChIInChI=1S/C9H19NS/c1-9(2,3)4-5-10-6-7-11-8-10/h4-8H2,1-3H3
InChIKeyMXDOMUJRSZTPDM-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-1,3-thiazolidine?
The IUPAC name of 3-(3,3-dimethylbutyl)-1,3-thiazolidine (CID 20774319) is 3-(3,3-dimethylbutyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-1,3-thiazolidine?
The canonical SMILES for 3-(3,3-dimethylbutyl)-1,3-thiazolidine is CC(C)(C)CCN1CCSC1.
What is the InChIKey of 3-(3,3-dimethylbutyl)-1,3-thiazolidine?
The InChIKey is MXDOMUJRSZTPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)4-5-10-6-7-11-8-10/h4-8H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutyl)-1,3-thiazolidine?
3-(3,3-dimethylbutyl)-1,3-thiazolidine has a molecular weight of 173.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-1,3-thiazolidine is sourced from PubChem (CID 20774319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).