2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine

C18H26N4O2S — CID 72909815

IUPAC2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccnc1C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H26N4O2S/c1-20(2)13-14-21-12-10-19-18(21)16-7-6-11-22(15-16)25(23,24)17-8-4-3-5-9-17/h3-5,8-10,12,16H,6-7,11,13-15H2,1-2H3
InChIKeyZLXVIPFJZQELPJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.01
Rot. Bonds6

About 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine

2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 72909815) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID72909815
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccnc1C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H26N4O2S/c1-20(2)13-14-21-12-10-19-18(21)16-7-6-11-22(15-16)25(23,24)17-8-4-3-5-9-17/h3-5,8-10,12,16H,6-7,11,13-15H2,1-2H3
InChIKeyZLXVIPFJZQELPJ-UHFFFAOYSA-N
XLogP2.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72861523
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
3-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]sulfonylbenzoic acid
CID 70768359
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 97151933
N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 70780194
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
(3R)-3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 97199500
3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 72893126

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine (CID 72909815) is 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ccnc1C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is ZLXVIPFJZQELPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-20(2)13-14-21-12-10-19-18(21)16-7-6-11-22(15-16)25(23,24)17-8-4-3-5-9-17/h3-5,8-10,12,16H,6-7,11,13-15H2,1-2H3.
What are the key properties of 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 362.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 72909815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).