N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide

C13H24N4O2S — CID 84598459

IUPACN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide
SMILESCC(C)Cn1ccnc1CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H24N4O2S/c1-12(2)11-16-9-6-14-13(16)10-15-20(18,19)17-7-4-3-5-8-17/h6,9,12,15H,3-5,7-8,10-11H2,1-2H3
InChIKeyJHGBUIRGJLAZKV-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.36
Rot. Bonds6

About N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide (PubChem CID 84598459) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide
PubChem CID84598459
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide
SMILESCC(C)Cn1ccnc1CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H24N4O2S/c1-12(2)11-16-9-6-14-13(16)10-15-20(18,19)17-7-4-3-5-8-17/h6,9,12,15H,3-5,7-8,10-11H2,1-2H3
InChIKeyJHGBUIRGJLAZKV-UHFFFAOYSA-N
XLogP1.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide (CID 84598459) is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide is CC(C)Cn1ccnc1CNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is JHGBUIRGJLAZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-12(2)11-16-9-6-14-13(16)10-15-20(18,19)17-7-4-3-5-8-17/h6,9,12,15H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide?
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 84598459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).