1-methyl-2-pyrrolidin-3-ylsulfanylimidazole

C8H13N3S — CID 62328973

IUPAC1-methyl-2-pyrrolidin-3-ylsulfanylimidazole
SMILESCn1ccnc1SC1CCNC1
InChIInChI=1S/C8H13N3S/c1-11-5-4-10-8(11)12-7-2-3-9-6-7/h4-5,7,9H,2-3,6H2,1H3
InChIKeyGLUVISMXTISXCB-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.87
Rot. Bonds2

About 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole

1-methyl-2-pyrrolidin-3-ylsulfanylimidazole (PubChem CID 62328973) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole.

Molecular Properties

Compound Name1-methyl-2-pyrrolidin-3-ylsulfanylimidazole
PubChem CID62328973
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-methyl-2-pyrrolidin-3-ylsulfanylimidazole
SMILESCn1ccnc1SC1CCNC1
InChIInChI=1S/C8H13N3S/c1-11-5-4-10-8(11)12-7-2-3-9-6-7/h4-5,7,9H,2-3,6H2,1H3
InChIKeyGLUVISMXTISXCB-UHFFFAOYSA-N
XLogP0.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole?
The IUPAC name of 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole (CID 62328973) is 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole.
What is the SMILES notation for 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole?
The canonical SMILES for 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole is Cn1ccnc1SC1CCNC1.
What is the InChIKey of 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole?
The InChIKey is GLUVISMXTISXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-11-5-4-10-8(11)12-7-2-3-9-6-7/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole?
1-methyl-2-pyrrolidin-3-ylsulfanylimidazole has a molecular weight of 183.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrrolidin-3-ylsulfanylimidazole is sourced from PubChem (CID 62328973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).