3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine

C10H17N3O2S — CID 102693060

IUPAC3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
SMILESCC1(C)CCCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H17N3O2S/c1-10(2)5-3-7-13(8-10)16(14,15)9-4-6-11-12-9/h4,6H,3,5,7-8H2,1-2H3,(H,11,12)
InChIKeyKKWCXVCLYHQKMC-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.22
Rot. Bonds2

About 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine

3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine (PubChem CID 102693060) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
PubChem CID102693060
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
SMILESCC1(C)CCCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H17N3O2S/c1-10(2)5-3-7-13(8-10)16(14,15)9-4-6-11-12-9/h4,6H,3,5,7-8H2,1-2H3,(H,11,12)
InChIKeyKKWCXVCLYHQKMC-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The IUPAC name of 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine (CID 102693060) is 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The canonical SMILES for 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine is CC1(C)CCCN(S(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The InChIKey is KKWCXVCLYHQKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2)5-3-7-13(8-10)16(14,15)9-4-6-11-12-9/h4,6H,3,5,7-8H2,1-2H3,(H,11,12).
What are the key properties of 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine has a molecular weight of 243.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine is sourced from PubChem (CID 102693060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).