1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine

C12H18N6O4S2 — CID 71809119

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
SMILESCn1cnc(S(=O)(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1
InChIInChI=1S/C12H18N6O4S2/c1-16-7-11(13-8-16)24(21,22)18-5-3-10(4-6-18)23(19,20)12-15-14-9-17(12)2/h7-10H,3-6H2,1-2H3
InChIKeySKWSGUKLHJSLOU-UHFFFAOYSA-N
MW374.45 g/mol
LogP-0.82
Rot. Bonds4

About 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine

1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine (PubChem CID 71809119) has the molecular formula C12H18N6O4S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
PubChem CID71809119
Molecular FormulaC12H18N6O4S2
Molecular Weight374.45 g/mol
Exact Mass374.08
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
SMILESCn1cnc(S(=O)(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1
InChIInChI=1S/C12H18N6O4S2/c1-16-7-11(13-8-16)24(21,22)18-5-3-10(4-6-18)23(19,20)12-15-14-9-17(12)2/h7-10H,3-6H2,1-2H3
InChIKeySKWSGUKLHJSLOU-UHFFFAOYSA-N
XLogP-0.82
TPSA120.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-(isobutylsulfonyl)-1-((1-methyl-1H-imidazol-4-yl)sulfonyl)piperidine
CID 76148528
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-(1H-1,2,3-triazol-1-yl)piperidine
CID 76151030
1-((1-isopropyl-1H-imidazol-4-yl)sulfonyl)-4-((1-methyl-1H-imidazol-2-yl)sulfonyl)piperidine
CID 91625066
1-(1-Methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
CID 55068567
1-(1,2-Dimethylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
CID 62063372
1-(1-Ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-sulfonamide
CID 62064478
N,N-dimethyl-1-(4-methyl-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-3-yl}-4H-1,2,4-triazol-3-yl)methanamine
CID 70754930
N,N-dimethyl-1-(4-methyl-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methanamine
CID 70775382
4-((3-(tert-butylsulfonyl)pyrrolidin-1-yl)sulfonyl)-1-methyl-1H-imidazole
CID 71806001
1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide
CID 71909657
4-(1-butan-2-ylimidazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71970107
1-((1-isopropyl-1H-imidazol-4-yl)sulfonyl)-4-(1H-1,2,3-triazol-1-yl)piperidine
CID 75472865

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine (CID 71809119) is 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine is Cn1cnc(S(=O)(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The InChIKey is SKWSGUKLHJSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O4S2/c1-16-7-11(13-8-16)24(21,22)18-5-3-10(4-6-18)23(19,20)12-15-14-9-17(12)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine has a molecular weight of 374.45 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine is sourced from PubChem (CID 71809119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).