2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole

C8H13N3S — CID 18723020

IUPAC2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole
SMILESCN1CCC(Sc2ncc[nH]2)C1
InChIInChI=1S/C8H13N3S/c1-11-5-2-7(6-11)12-8-9-3-4-10-8/h3-4,7H,2,5-6H2,1H3,(H,9,10)
InChIKeyDRYKLQYOVWWOBS-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.21
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole

2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole (PubChem CID 18723020) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole
PubChem CID18723020
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole
SMILESCN1CCC(Sc2ncc[nH]2)C1
InChIInChI=1S/C8H13N3S/c1-11-5-2-7(6-11)12-8-9-3-4-10-8/h3-4,7H,2,5-6H2,1H3,(H,9,10)
InChIKeyDRYKLQYOVWWOBS-UHFFFAOYSA-N
XLogP1.21
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole (CID 18723020) is 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole is CN1CCC(Sc2ncc[nH]2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole?
The InChIKey is DRYKLQYOVWWOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-11-5-2-7(6-11)12-8-9-3-4-10-8/h3-4,7H,2,5-6H2,1H3,(H,9,10).
What are the key properties of 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole?
2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole has a molecular weight of 183.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole is sourced from PubChem (CID 18723020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).