4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine

C15H23N5O4S2 — CID 91625066

IUPAC4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c1
InChIInChI=1S/C15H23N5O4S2/c1-12(2)19-10-14(17-11-19)26(23,24)20-7-4-13(5-8-20)25(21,22)15-16-6-9-18(15)3/h6,9-13H,4-5,7-8H2,1-3H3
InChIKeyHAXZTGKPGPFRSJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP0.82
Rot. Bonds5

About 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine

4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine (PubChem CID 91625066) has the molecular formula C15H23N5O4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine
PubChem CID91625066
Molecular FormulaC15H23N5O4S2
Molecular Weight401.51 g/mol
Exact Mass401.12
IUPAC Name4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c1
InChIInChI=1S/C15H23N5O4S2/c1-12(2)19-10-14(17-11-19)26(23,24)20-7-4-13(5-8-20)25(21,22)15-16-6-9-18(15)3/h6,9-13H,4-5,7-8H2,1-3H3
InChIKeyHAXZTGKPGPFRSJ-UHFFFAOYSA-N
XLogP0.82
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,7aS)-4-(1-methylimidazol-4-yl)sulfonyl-1-(2-methylpropyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70763680
8-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806338
4-(Cyclopropylmethyl)-8-[(1-methyl-1H-imidazol-4-YL)sulfonyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one 1-oxide
CID 91909780
1-Butyl-3-ethenylimidazol-1-ium;1-methyl-3-pentyl-2,4-bis(trifluoromethylsulfonyl)imidazol-1-ium
CID 157252542
2,4-Bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium
CID 157432526
2,4-Bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-methylimidazol-3-ium
CID 157896053
1-Hexyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)imidazol-1-ium;1-methyl-3-propylimidazol-1-ium
CID 157552827
1-cyclohexyl-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 20958600
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2-[2-(1-pyrrolidinyl)ethyl]piperidine
CID 70723721
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 71809119
2-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 72137247
4-(isobutylsulfonyl)-1-((1-methyl-1H-imidazol-4-yl)sulfonyl)piperidine
CID 76148528

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine (CID 91625066) is 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine is CC(C)n1cnc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine?
The InChIKey is HAXZTGKPGPFRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S2/c1-12(2)19-10-14(17-11-19)26(23,24)20-7-4-13(5-8-20)25(21,22)15-16-6-9-18(15)3/h6,9-13H,4-5,7-8H2,1-3H3.
What are the key properties of 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine?
4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine has a molecular weight of 401.51 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)sulfonyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 91625066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).