1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole

C11H20N2O2S — CID 103857951

IUPAC1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole
SMILESCCCc1nccn1CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H20N2O2S/c1-4-5-11-12-6-7-13(11)8-9-16(14,15)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyJVMFHVVHVWHYTE-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds6

About 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole

1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole (PubChem CID 103857951) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole
PubChem CID103857951
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole
SMILESCCCc1nccn1CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H20N2O2S/c1-4-5-11-12-6-7-13(11)8-9-16(14,15)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyJVMFHVVHVWHYTE-UHFFFAOYSA-N
XLogP1.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine
CID 106717648
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
1-(2-propan-2-ylsulfonylethyl)imidazole-2-carbothioamide
CID 106730730
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 106731651
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717713
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
2-(ethylamino)-3-(2-propylimidazol-1-yl)propan-1-ol
CID 64810250
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
1-ethyl-2-propylimidazole;4-methylbenzenesulfonic acid
CID 175780532
1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole
CID 75433232

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole (CID 103857951) is 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole is CCCc1nccn1CCS(=O)(=O)C(C)C.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole?
The InChIKey is JVMFHVVHVWHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-5-11-12-6-7-13(11)8-9-16(14,15)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole?
1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole has a molecular weight of 244.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole is sourced from PubChem (CID 103857951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).