2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine

C9H15N3O2S — CID 60928789

IUPAC2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCC1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2S/c1-8-4-2-3-5-12(8)15(13,14)9-6-10-11-7-9/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyQVDKWIDWEUMHML-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.97
Rot. Bonds2

About 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine

2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (PubChem CID 60928789) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
PubChem CID60928789
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCC1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2S/c1-8-4-2-3-5-12(8)15(13,14)9-6-10-11-7-9/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyQVDKWIDWEUMHML-UHFFFAOYSA-N
XLogP0.97
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 106833798
[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]methanamine
CID 116640142
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate
CID 54937182
1-[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]propan-2-one
CID 79560351
6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 47268283
N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036044
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
1-(1H-pyrazol-4-ylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680697
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
3-methyl-4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 63607963
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The IUPAC name of 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (CID 60928789) is 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine.
What is the SMILES notation for 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The canonical SMILES for 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine is CC1CCCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The InChIKey is QVDKWIDWEUMHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8-4-2-3-5-12(8)15(13,14)9-6-10-11-7-9/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine has a molecular weight of 229.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine is sourced from PubChem (CID 60928789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).