N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide

C11H20N4O2S — CID 64518242

IUPACN-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)Cc2ncc[nH]2)CC1
InChIInChI=1S/C11H20N4O2S/c1-10-3-7-15(8-4-10)18(16,17)14(2)9-11-12-5-6-13-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,12,13)
InChIKeyVEILJLDXKHFBRX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.82
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide

N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide (PubChem CID 64518242) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide
PubChem CID64518242
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)Cc2ncc[nH]2)CC1
InChIInChI=1S/C11H20N4O2S/c1-10-3-7-15(8-4-10)18(16,17)14(2)9-11-12-5-6-13-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,12,13)
InChIKeyVEILJLDXKHFBRX-UHFFFAOYSA-N
XLogP0.82
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide (CID 64518242) is N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(C)Cc2ncc[nH]2)CC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is VEILJLDXKHFBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-10-3-7-15(8-4-10)18(16,17)14(2)9-11-12-5-6-13-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 64518242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).