N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine

C20H30N4O2S — CID 72861523

IUPACN,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine
SMILESCc1cccc(CS(=O)(=O)N2CCCC(c3nccn3CCN(C)C)C2)c1
InChIInChI=1S/C20H30N4O2S/c1-17-6-4-7-18(14-17)16-27(25,26)24-10-5-8-19(15-24)20-21-9-11-23(20)13-12-22(2)3/h4,6-7,9,11,14,19H,5,8,10,12-13,15-16H2,1-3H3
InChIKeyQPUOUUXVSBHFNU-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.46
Rot. Bonds7

About N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine

N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine (PubChem CID 72861523) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine
PubChem CID72861523
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC NameN,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine
SMILESCc1cccc(CS(=O)(=O)N2CCCC(c3nccn3CCN(C)C)C2)c1
InChIInChI=1S/C20H30N4O2S/c1-17-6-4-7-18(14-17)16-27(25,26)24-10-5-8-19(15-24)20-21-9-11-23(20)13-12-22(2)3/h4,6-7,9,11,14,19H,5,8,10,12-13,15-16H2,1-3H3
InChIKeyQPUOUUXVSBHFNU-UHFFFAOYSA-N
XLogP2.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 97151933
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 70780194
1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 97268736
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72839228
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine (CID 72861523) is N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine is Cc1cccc(CS(=O)(=O)N2CCCC(c3nccn3CCN(C)C)C2)c1.
What is the InChIKey of N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine?
The InChIKey is QPUOUUXVSBHFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-17-6-4-7-18(14-17)16-27(25,26)24-10-5-8-19(15-24)20-21-9-11-23(20)13-12-22(2)3/h4,6-7,9,11,14,19H,5,8,10,12-13,15-16H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine?
N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine has a molecular weight of 390.55 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 72861523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).