1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole

C14H25N3S — CID 114117594

IUPAC1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole
SMILESCCC(CC)(Cn1cncc1C1CCNC1)SC
InChIInChI=1S/C14H25N3S/c1-4-14(5-2,18-3)10-17-11-16-9-13(17)12-6-7-15-8-12/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyRSHVFIPSIGTCRD-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole

1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114117594) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114117594
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole
SMILESCCC(CC)(Cn1cncc1C1CCNC1)SC
InChIInChI=1S/C14H25N3S/c1-4-14(5-2,18-3)10-17-11-16-9-13(17)12-6-7-15-8-12/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyRSHVFIPSIGTCRD-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-2-methylsulfanylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 114117598
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342
1-ethyl-4-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]piperidine
CID 114719115
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 114180990
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole (CID 114117594) is 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole is CCC(CC)(Cn1cncc1C1CCNC1)SC.
What is the InChIKey of 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is RSHVFIPSIGTCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-14(5-2,18-3)10-17-11-16-9-13(17)12-6-7-15-8-12/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole?
1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 267.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114117594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).