(5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine

C8H16N2S — CID 58880452

IUPAC(5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine
SMILESC1CCN(C[C@H]2CNCS2)C1
InChIInChI=1S/C8H16N2S/c1-2-4-10(3-1)6-8-5-9-7-11-8/h8-9H,1-7H2/t8-/m1/s1
InChIKeyZUPBBMRSKLUHHD-MRVPVSSYSA-N
MW172.30 g/mol
LogP0.74
Rot. Bonds2

About (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine

(5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine (PubChem CID 58880452) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine
PubChem CID58880452
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name(5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine
SMILESC1CCN(C[C@H]2CNCS2)C1
InChIInChI=1S/C8H16N2S/c1-2-4-10(3-1)6-8-5-9-7-11-8/h8-9H,1-7H2/t8-/m1/s1
InChIKeyZUPBBMRSKLUHHD-MRVPVSSYSA-N
XLogP0.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine?
The IUPAC name of (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine (CID 58880452) is (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine.
What is the SMILES notation for (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine?
The canonical SMILES for (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine is C1CCN(C[C@H]2CNCS2)C1.
What is the InChIKey of (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine?
The InChIKey is ZUPBBMRSKLUHHD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-4-10(3-1)6-8-5-9-7-11-8/h8-9H,1-7H2/t8-/m1/s1.
What are the key properties of (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine?
(5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine has a molecular weight of 172.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine is sourced from PubChem (CID 58880452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).