5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole

C12H19N3S — CID 107299106

IUPAC5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole
SMILESc1ncn(CC2CCSC2)c1C1CCNC1
InChIInChI=1S/C12H19N3S/c1-3-13-5-11(1)12-6-14-9-15(12)7-10-2-4-16-8-10/h6,9-11,13H,1-5,7-8H2
InChIKeyLMBZLGULCDRGOW-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.71
Rot. Bonds3

About 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole

5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole (PubChem CID 107299106) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole
PubChem CID107299106
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole
SMILESc1ncn(CC2CCSC2)c1C1CCNC1
InChIInChI=1S/C12H19N3S/c1-3-13-5-11(1)12-6-14-9-15(12)7-10-2-4-16-8-10/h6,9-11,13H,1-5,7-8H2
InChIKeyLMBZLGULCDRGOW-UHFFFAOYSA-N
XLogP1.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole?
The IUPAC name of 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole (CID 107299106) is 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole?
The canonical SMILES for 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole is c1ncn(CC2CCSC2)c1C1CCNC1.
What is the InChIKey of 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole?
The InChIKey is LMBZLGULCDRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-13-5-11(1)12-6-14-9-15(12)7-10-2-4-16-8-10/h6,9-11,13H,1-5,7-8H2.
What are the key properties of 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole?
5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole has a molecular weight of 237.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-1-(thiolan-3-ylmethyl)imidazole is sourced from PubChem (CID 107299106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).