N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide

C12H22N4O2S — CID 64519824

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C12H22N4O2S/c1-16(10-12-14-7-8-15-12)19(17,18)9-5-11-4-2-3-6-13-11/h7-8,11,13H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyGYWQFTGQELQAQF-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.70
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide (PubChem CID 64519824) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide
PubChem CID64519824
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C12H22N4O2S/c1-16(10-12-14-7-8-15-12)19(17,18)9-5-11-4-2-3-6-13-11/h7-8,11,13H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyGYWQFTGQELQAQF-UHFFFAOYSA-N
XLogP0.70
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide (CID 64519824) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)CCC1CCCCN1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide?
The InChIKey is GYWQFTGQELQAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-16(10-12-14-7-8-15-12)19(17,18)9-5-11-4-2-3-6-13-11/h7-8,11,13H,2-6,9-10H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 64519824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).