5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine

C8H15N2S+ — CID 4147027

IUPAC5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine
SMILESCC1CNC(=[N+]2CCCC2)S1
InChIInChI=1S/C8H14N2S/c1-7-6-9-8(11-7)10-4-2-3-5-10/h7H,2-6H2,1H3/p+1
InChIKeyKJAFYTLNCBJBPM-UHFFFAOYSA-O
MW171.29 g/mol
LogP0.87
Rot. Bonds

About 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine

5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine (PubChem CID 4147027) has the molecular formula C8H15N2S+ and a molecular weight of 171.29 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine
PubChem CID4147027
Molecular FormulaC8H15N2S+
Molecular Weight171.29 g/mol
Exact Mass171.10
IUPAC Name5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine
SMILESCC1CNC(=[N+]2CCCC2)S1
InChIInChI=1S/C8H14N2S/c1-7-6-9-8(11-7)10-4-2-3-5-10/h7H,2-6H2,1H3/p+1
InChIKeyKJAFYTLNCBJBPM-UHFFFAOYSA-O
XLogP0.87
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine (CID 4147027) is 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine is CC1CNC(=[N+]2CCCC2)S1.
What is the InChIKey of 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine?
The InChIKey is KJAFYTLNCBJBPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2S/c1-7-6-9-8(11-7)10-4-2-3-5-10/h7H,2-6H2,1H3/p+1.
What are the key properties of 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine?
5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine has a molecular weight of 171.29 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine is sourced from PubChem (CID 4147027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).