N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide

C11H20N4O2S — CID 64519440

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H20N4O2S/c1-15(8-11-13-6-7-14-11)18(16,17)9-10-2-4-12-5-3-10/h6-7,10,12H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyVGBGOIXEMGJMGW-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.17
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide (PubChem CID 64519440) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide
PubChem CID64519440
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H20N4O2S/c1-15(8-11-13-6-7-14-11)18(16,17)9-10-2-4-12-5-3-10/h6-7,10,12H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyVGBGOIXEMGJMGW-UHFFFAOYSA-N
XLogP0.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.17
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-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide (CID 64519440) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is VGBGOIXEMGJMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15(8-11-13-6-7-14-11)18(16,17)9-10-2-4-12-5-3-10/h6-7,10,12H,2-5,8-9H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.17, 5 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-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 64519440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).