1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine

C19H33N3O2S — CID 45202844

IUPAC1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine
SMILESCCCCn1c(CN2CCCCC2C)cnc1S(=O)(=O)CC1CCC1
InChIInChI=1S/C19H33N3O2S/c1-3-4-12-22-18(14-21-11-6-5-8-16(21)2)13-20-19(22)25(23,24)15-17-9-7-10-17/h13,16-17H,3-12,14-15H2,1-2H3
InChIKeyGWEQKLSTBMSHIN-UHFFFAOYSA-N
MW367.56 g/mol
LogP3.63
Rot. Bonds8

About 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine

1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine (PubChem CID 45202844) has the molecular formula C19H33N3O2S and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine
PubChem CID45202844
Molecular FormulaC19H33N3O2S
Molecular Weight367.56 g/mol
Exact Mass367.23
IUPAC Name1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine
SMILESCCCCn1c(CN2CCCCC2C)cnc1S(=O)(=O)CC1CCC1
InChIInChI=1S/C19H33N3O2S/c1-3-4-12-22-18(14-21-11-6-5-8-16(21)2)13-20-19(22)25(23,24)15-17-9-7-10-17/h13,16-17H,3-12,14-15H2,1-2H3
InChIKeyGWEQKLSTBMSHIN-UHFFFAOYSA-N
XLogP3.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 42196622
[1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45221955
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 26399798
4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]thiomorpholine
CID 25278404
1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine
CID 42196262
(1S)-N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42196966
1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methoxypiperidine
CID 42513120
1-[4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 28733847
1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-methylpiperidine
CID 45187579
1-[1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
CID 45197091
N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 25286342
ethyl (2S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidine-2-carboxylate
CID 42197048

Frequently Asked Questions

What is the IUPAC name of 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine?
The IUPAC name of 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine (CID 45202844) is 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine.
What is the SMILES notation for 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine?
The canonical SMILES for 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine is CCCCn1c(CN2CCCCC2C)cnc1S(=O)(=O)CC1CCC1.
What is the InChIKey of 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine?
The InChIKey is GWEQKLSTBMSHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2S/c1-3-4-12-22-18(14-21-11-6-5-8-16(21)2)13-20-19(22)25(23,24)15-17-9-7-10-17/h13,16-17H,3-12,14-15H2,1-2H3.
What are the key properties of 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine?
1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine has a molecular weight of 367.56 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine is sourced from PubChem (CID 45202844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).