1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C10H17N3O2S — CID 104942355

IUPAC1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCS(=O)(=O)CCn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C10H17N3O2S/c1-16(14,15)6-5-13-8-11-7-10(13)9-3-2-4-12-9/h7-9,12H,2-6H2,1H3/t9-/m0/s1
InChIKeyIGVHBVOTKHCYQE-VIFPVBQESA-N
MW243.33 g/mol
LogP0.35
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104942355) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104942355
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCS(=O)(=O)CCn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C10H17N3O2S/c1-16(14,15)6-5-13-8-11-7-10(13)9-3-2-4-12-9/h7-9,12H,2-6H2,1H3/t9-/m0/s1
InChIKeyIGVHBVOTKHCYQE-VIFPVBQESA-N
XLogP0.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
CID 104942233
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
CID 104942020
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104942355) is 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CS(=O)(=O)CCn1cncc1[C@@H]1CCCN1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is IGVHBVOTKHCYQE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-16(14,15)6-5-13-8-11-7-10(13)9-3-2-4-12-9/h7-9,12H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 243.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104942355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).