N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide

C12H22N4O2S — CID 86784600

IUPACN-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC2CCCCN2)c1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-12(14-9-16)19(17,18)15-7-11-5-3-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3
InChIKeyWLUKXIRMIXQUMS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.88
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide

N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 86784600) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID86784600
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC2CCCCN2)c1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-12(14-9-16)19(17,18)15-7-11-5-3-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3
InChIKeyWLUKXIRMIXQUMS-UHFFFAOYSA-N
XLogP0.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
CID 20856396
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-
CID 3071470
4-methyl-1'-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1,4'-bipiperidine
CID 118308389
N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53007816
1H-Imidazole-4-sulfonamide, 1-methyl-N-(4-(4-morpholinyl)butyl)-, monohydrochloride
CID 3078102
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498
N-(tert-butyl)-4-((1-methyl-1H-imidazole-4-sulfonamido)methyl)piperidine-1-carboxamide
CID 71806277

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide (CID 86784600) is N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NCC2CCCCN2)c1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is WLUKXIRMIXQUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(2)16-8-12(14-9-16)19(17,18)15-7-11-5-3-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 86784600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).