1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine

C11H19N3O2S — CID 6465895

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H19N3O2S/c1-9-6-4-5-7-14(9)17(15,16)11-8-13(3)12-10(11)2/h8-9H,4-7H2,1-3H3
InChIKeyNZVBCPQDVHOCPZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.29
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine (PubChem CID 6465895) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
PubChem CID6465895
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H19N3O2S/c1-9-6-4-5-7-14(9)17(15,16)11-8-13(3)12-10(11)2/h8-9H,4-7H2,1-3H3
InChIKeyNZVBCPQDVHOCPZ-UHFFFAOYSA-N
XLogP1.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine (CID 6465895) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine is Cc1nn(C)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine?
The InChIKey is NZVBCPQDVHOCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-6-4-5-7-14(9)17(15,16)11-8-13(3)12-10(11)2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine has a molecular weight of 257.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 6465895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).