4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine

C10H19NS2 — CID 130917975

IUPAC4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine
SMILESCC1(C)CSC(C2(C)CCCS2)N1
InChIInChI=1S/C10H19NS2/c1-9(2)7-12-8(11-9)10(3)5-4-6-13-10/h8,11H,4-7H2,1-3H3
InChIKeySSPCRICXXSHYTR-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.71
Rot. Bonds1

About 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine

4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine (PubChem CID 130917975) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine
PubChem CID130917975
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine
SMILESCC1(C)CSC(C2(C)CCCS2)N1
InChIInChI=1S/C10H19NS2/c1-9(2)7-12-8(11-9)10(3)5-4-6-13-10/h8,11H,4-7H2,1-3H3
InChIKeySSPCRICXXSHYTR-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine?
The IUPAC name of 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine (CID 130917975) is 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine is CC1(C)CSC(C2(C)CCCS2)N1.
What is the InChIKey of 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine?
The InChIKey is SSPCRICXXSHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-9(2)7-12-8(11-9)10(3)5-4-6-13-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine?
4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine has a molecular weight of 217.40 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 130917975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).