3-(2,2-dimethylpropyl)-1,3-thiazolidine

C8H17NS — CID 21060357

IUPAC3-(2,2-dimethylpropyl)-1,3-thiazolidine
SMILESCC(C)(C)CN1CCSC1
InChIInChI=1S/C8H17NS/c1-8(2,3)6-9-4-5-10-7-9/h4-7H2,1-3H3
InChIKeyPWFSBNBEFKMLLL-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.04
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,3-thiazolidine

3-(2,2-dimethylpropyl)-1,3-thiazolidine (PubChem CID 21060357) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,3-thiazolidine
PubChem CID21060357
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-(2,2-dimethylpropyl)-1,3-thiazolidine
SMILESCC(C)(C)CN1CCSC1
InChIInChI=1S/C8H17NS/c1-8(2,3)6-9-4-5-10-7-9/h4-7H2,1-3H3
InChIKeyPWFSBNBEFKMLLL-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

2,3,5-Trimethyl-1,3-thiazolidine
CID 90934568
InChI=1/C7H15NS/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H
CID 5325806
2,2,5-Trimethyl-3-ethylthiazolidine
CID 12654790
3-(3-Butylsulfanylpropyl)-1,3-thiazolidine
CID 3038843
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757
3-Butyl-2-propyl-1,3-thiazolidine
CID 13356758
3,5,5-Trimethyl-1,3-thiazolidine
CID 9833962
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
3-Propyl-1,3-thiazolidine
CID 15163847
3-(2-Methylpropyl)-1,3-thiazolidine
CID 15163849
3-Butan-2-yl-5,5-dimethyl-1,3-thiazolidine
CID 18185947

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,3-thiazolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,3-thiazolidine (CID 21060357) is 3-(2,2-dimethylpropyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,3-thiazolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,3-thiazolidine is CC(C)(C)CN1CCSC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,3-thiazolidine?
The InChIKey is PWFSBNBEFKMLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,3)6-9-4-5-10-7-9/h4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,3-thiazolidine?
3-(2,2-dimethylpropyl)-1,3-thiazolidine has a molecular weight of 159.30 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,3-thiazolidine is sourced from PubChem (CID 21060357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).