1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole

C14H23N3S — CID 114117610

IUPAC1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole
SMILESCSC1(Cn2cncc2C2CCNC2)CCCC1
InChIInChI=1S/C14H23N3S/c1-18-14(5-2-3-6-14)10-17-11-16-9-13(17)12-4-7-15-8-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyZSRNJIVGBCYJJA-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.64
Rot. Bonds4

About 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole

1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole (PubChem CID 114117610) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole
PubChem CID114117610
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole
SMILESCSC1(Cn2cncc2C2CCNC2)CCCC1
InChIInChI=1S/C14H23N3S/c1-18-14(5-2-3-6-14)10-17-11-16-9-13(17)12-4-7-15-8-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyZSRNJIVGBCYJJA-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole (CID 114117610) is 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole is CSC1(Cn2cncc2C2CCNC2)CCCC1.
What is the InChIKey of 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole?
The InChIKey is ZSRNJIVGBCYJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-18-14(5-2-3-6-14)10-17-11-16-9-13(17)12-4-7-15-8-12/h9,11-12,15H,2-8,10H2,1H3.
What are the key properties of 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole?
1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole has a molecular weight of 265.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfanylcyclopentyl)methyl]-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114117610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).