N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide

C11H20N4O2S — CID 64518483

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H20N4O2S/c1-15(8-11-13-5-6-14-11)18(16,17)9-10-3-2-4-12-7-10/h5-6,10,12H,2-4,7-9H2,1H3,(H,13,14)
InChIKeyONPZODKDAPGLIO-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.17
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide (PubChem CID 64518483) 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-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide
PubChem CID64518483
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H20N4O2S/c1-15(8-11-13-5-6-14-11)18(16,17)9-10-3-2-4-12-7-10/h5-6,10,12H,2-4,7-9H2,1H3,(H,13,14)
InChIKeyONPZODKDAPGLIO-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

Analyze N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide (CID 64518483) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is ONPZODKDAPGLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15(8-11-13-5-6-14-11)18(16,17)9-10-3-2-4-12-7-10/h5-6,10,12H,2-4,7-9H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-3-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-3-ylmethanesulfonamide is sourced from PubChem (CID 64518483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).