3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

C14H21N5O2S — CID 110250603

IUPAC3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nccn1CC1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C14H21N5O2S/c1-12-15-5-7-18(12)9-13-4-3-6-19(10-13)22(20,21)14-8-16-17(2)11-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3
InChIKeyTZLATSBKUSUPGQ-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.03
Rot. Bonds4

About 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 110250603) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
PubChem CID110250603
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nccn1CC1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C14H21N5O2S/c1-12-15-5-7-18(12)9-13-4-3-6-19(10-13)22(20,21)14-8-16-17(2)11-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3
InChIKeyTZLATSBKUSUPGQ-UHFFFAOYSA-N
XLogP1.03
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (CID 110250603) is 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is Cc1nccn1CC1CCCN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is TZLATSBKUSUPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-12-15-5-7-18(12)9-13-4-3-6-19(10-13)22(20,21)14-8-16-17(2)11-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3.
What are the key properties of 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 323.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylimidazol-1-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 110250603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).