N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide

C13H24N4O2S — CID 119965904

IUPACN-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide
SMILESCC(C)Cn1cnc(S(=O)(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C13H24N4O2S/c1-11(2)8-17-9-13(15-10-17)20(18,19)16(3)12-4-6-14-7-5-12/h9-12,14H,4-8H2,1-3H3
InChIKeyPHACFQLNYVXFNC-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.91
Rot. Bonds5

About N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide

N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide (PubChem CID 119965904) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide
PubChem CID119965904
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide
SMILESCC(C)Cn1cnc(S(=O)(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C13H24N4O2S/c1-11(2)8-17-9-13(15-10-17)20(18,19)16(3)12-4-6-14-7-5-12/h9-12,14H,4-8H2,1-3H3
InChIKeyPHACFQLNYVXFNC-UHFFFAOYSA-N
XLogP0.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride
CID 119994593
N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 120709837
3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 120779629
1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide
CID 114088856
2-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-1,2-oxazolidine
CID 84599896
1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 62373282
N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990565
[(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol
CID 128977215
3-[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120825709
1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607858
N-(2-amino-1-cyclohexylethyl)-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 119983755
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 79373044

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide?
The IUPAC name of N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide (CID 119965904) is N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide is CC(C)Cn1cnc(S(=O)(=O)N(C)C2CCNCC2)c1.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide?
The InChIKey is PHACFQLNYVXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(2)8-17-9-13(15-10-17)20(18,19)16(3)12-4-6-14-7-5-12/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide?
N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide is sourced from PubChem (CID 119965904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).