(2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine

C9H18N2S — CID 58880434

IUPAC(2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine
SMILESC[C@H]1NC[C@H](CN2CCCC2)S1
InChIInChI=1S/C9H18N2S/c1-8-10-6-9(12-8)7-11-4-2-3-5-11/h8-10H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyYCKQHJQEVWHJEB-DTWKUNHWSA-N
MW186.32 g/mol
LogP1.13
Rot. Bonds2

About (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine

(2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine (PubChem CID 58880434) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine
PubChem CID58880434
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine
SMILESC[C@H]1NC[C@H](CN2CCCC2)S1
InChIInChI=1S/C9H18N2S/c1-8-10-6-9(12-8)7-11-4-2-3-5-11/h8-10H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyYCKQHJQEVWHJEB-DTWKUNHWSA-N
XLogP1.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine?
The IUPAC name of (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine (CID 58880434) is (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine.
What is the SMILES notation for (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine?
The canonical SMILES for (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine is C[C@H]1NC[C@H](CN2CCCC2)S1.
What is the InChIKey of (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine?
The InChIKey is YCKQHJQEVWHJEB-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8-10-6-9(12-8)7-11-4-2-3-5-11/h8-10H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine?
(2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine has a molecular weight of 186.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine is sourced from PubChem (CID 58880434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).