5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline

C17H24N4O2S — CID 84588500

IUPAC5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3ncc[nH]3)C2)cc1N(C)C
InChIInChI=1S/C17H24N4O2S/c1-13-6-7-15(11-16(13)20(2)3)24(22,23)21-10-4-5-14(12-21)17-18-8-9-19-17/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,18,19)
InChIKeyWJCJNAAKNZGXMH-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.35
Rot. Bonds4

About 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline

5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline (PubChem CID 84588500) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline.

Molecular Properties

Compound Name5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
PubChem CID84588500
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3ncc[nH]3)C2)cc1N(C)C
InChIInChI=1S/C17H24N4O2S/c1-13-6-7-15(11-16(13)20(2)3)24(22,23)21-10-4-5-14(12-21)17-18-8-9-19-17/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,18,19)
InChIKeyWJCJNAAKNZGXMH-UHFFFAOYSA-N
XLogP2.35
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120714488
(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 97055812
formic acid;6-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylchromen-2-one
CID 172910584
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145
1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
CID 110725902
6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine
CID 126830184
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
CID 119978372
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 100665785
4-N-[4-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]pyrimidin-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 124945204
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline?
The IUPAC name of 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline (CID 84588500) is 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline.
What is the SMILES notation for 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline?
The canonical SMILES for 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline is Cc1ccc(S(=O)(=O)N2CCCC(c3ncc[nH]3)C2)cc1N(C)C.
What is the InChIKey of 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline?
The InChIKey is WJCJNAAKNZGXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-6-7-15(11-16(13)20(2)3)24(22,23)21-10-4-5-14(12-21)17-18-8-9-19-17/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,18,19).
What are the key properties of 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline?
5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline has a molecular weight of 348.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline is sourced from PubChem (CID 84588500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).