1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine

C10H17N3O2S — CID 20856403

IUPAC1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C10H17N3O2S/c1-8-3-9(2)6-13(5-8)16(14,15)10-4-11-7-12-10/h4,7-9H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyIRAMYANTUSCFAP-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.08
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine

1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine (PubChem CID 20856403) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
PubChem CID20856403
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C10H17N3O2S/c1-8-3-9(2)6-13(5-8)16(14,15)10-4-11-7-12-10/h4,7-9H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyIRAMYANTUSCFAP-UHFFFAOYSA-N
XLogP1.08
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
N-(2-ethylhexyl)-1-(1H-imidazol-4-ylsulfonyl)-3-piperidinecarboxamide
CID 5307411
1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
CID 20856396
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-4-methylpiperazine
CID 3241121
1-(1H-imidazol-4-ylsulfonyl)azepane
CID 3235988
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazol-4-ylsulfonyl)-4-[(4-methylpiperidin-1-yl)carbonyl]piperidine
CID 3241075
ethyl 1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 3245834
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
N,N-dimethyl-1H-imidazole-4-sulfonamide
CID 54593459
1H-imidazol-4-yl [4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl] sulfone
CID 91922030
N-methyl-1H-imidazole-4-sulfonamide
CID 54164638

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine (CID 20856403) is 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine?
The InChIKey is IRAMYANTUSCFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-3-9(2)6-13(5-8)16(14,15)10-4-11-7-12-10/h4,7-9H,3,5-6H2,1-2H3,(H,11,12).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine?
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine has a molecular weight of 243.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 20856403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).