1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole

C10H17N3S — CID 141139292

IUPAC1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole
SMILESCCn1ccnc1SC[C@@H]1CCCN1
InChIInChI=1S/C10H17N3S/c1-2-13-7-6-12-10(13)14-8-9-4-3-5-11-9/h6-7,9,11H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyXXXNZLNKRHKKMS-VIFPVBQESA-N
MW211.33 g/mol
LogP1.75
Rot. Bonds4

About 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole

1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole (PubChem CID 141139292) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole.

Molecular Properties

Compound Name1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole
PubChem CID141139292
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole
SMILESCCn1ccnc1SC[C@@H]1CCCN1
InChIInChI=1S/C10H17N3S/c1-2-13-7-6-12-10(13)14-8-9-4-3-5-11-9/h6-7,9,11H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyXXXNZLNKRHKKMS-VIFPVBQESA-N
XLogP1.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6460530
N-cyclohexyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2997769
2-methyl-1-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61686283
1-{[(2R)-pyrrolidin-2-yl]methyl}-1H-imidazole
CID 28063973
1-methyl-2-(pyrrolidin-2-yl)-1H-imidazole
CID 64088347
1-(((1-methyl-1H-imidazol-2-yl)methyl)sulfanyl)butan-2-amine
CID 66228720
1-[(2S)-2-Pyrrolidinylmethyl]-1H-imidazole dihydrochloride
CID 137346961
(3R,4S)-3-fluoro-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-ium
CID 164673828
2-ethyl-1-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61685971
1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium
CID 11666491
1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole
CID 23658977
(S)-1-(Pyrrolidin-2-ylmethyl)-1H-imidazole
CID 28063975

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole?
The IUPAC name of 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole (CID 141139292) is 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole.
What is the SMILES notation for 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole?
The canonical SMILES for 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole is CCn1ccnc1SC[C@@H]1CCCN1.
What is the InChIKey of 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole?
The InChIKey is XXXNZLNKRHKKMS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-13-7-6-12-10(13)14-8-9-4-3-5-11-9/h6-7,9,11H,2-5,8H2,1H3/t9-/m0/s1.
What are the key properties of 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole?
1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole has a molecular weight of 211.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole is sourced from PubChem (CID 141139292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).