(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide

C18H26N4O2S — CID 97151933

IUPAC(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
SMILESCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C18H26N4O2S/c1-3-21-13-11-19-18(21)17-10-7-12-22(15-17)25(23,24)20(2)14-16-8-5-4-6-9-16/h4-6,8-9,11,13,17H,3,7,10,12,14-15H2,1-2H3/t17-/m1/s1
InChIKeySOQYIZIRYBFQGL-QGZVFWFLSA-N
MW362.50 g/mol
LogP2.46
Rot. Bonds6

About (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide

(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide (PubChem CID 97151933) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
PubChem CID97151933
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
SMILESCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C18H26N4O2S/c1-3-21-13-11-19-18(21)17-10-7-12-22(15-17)25(23,24)20(2)14-16-8-5-4-6-9-16/h4-6,8-9,11,13,17H,3,7,10,12,14-15H2,1-2H3/t17-/m1/s1
InChIKeySOQYIZIRYBFQGL-QGZVFWFLSA-N
XLogP2.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 70780194
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
3-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]sulfonylbenzoic acid
CID 70768359
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 97145492
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 70743543
(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
CID 115301795
N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72861523
(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 (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide (CID 97151933) is (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide is CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccccc2)C1.
What is the InChIKey of (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is SOQYIZIRYBFQGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-21-13-11-19-18(21)17-10-7-12-22(15-17)25(23,24)20(2)14-16-8-5-4-6-9-16/h4-6,8-9,11,13,17H,3,7,10,12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide?
(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 97151933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).