[(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine

C12H22N4O2S — CID 125445860

IUPAC[(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCCn1nc(C)cc1S(=O)(=O)N1CCC[C@@H](CN)C1
InChIInChI=1S/C12H22N4O2S/c1-3-16-12(7-10(2)14-16)19(17,18)15-6-4-5-11(8-13)9-15/h7,11H,3-6,8-9,13H2,1-2H3/t11-/m0/s1
InChIKeyGNRJHPYGEOMWSI-NSHDSACASA-N
MW286.40 g/mol
LogP0.57
Rot. Bonds4

About [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine

[(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine (PubChem CID 125445860) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
PubChem CID125445860
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name[(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCCn1nc(C)cc1S(=O)(=O)N1CCC[C@@H](CN)C1
InChIInChI=1S/C12H22N4O2S/c1-3-16-12(7-10(2)14-16)19(17,18)15-6-4-5-11(8-13)9-15/h7,11H,3-6,8-9,13H2,1-2H3/t11-/m0/s1
InChIKeyGNRJHPYGEOMWSI-NSHDSACASA-N
XLogP0.57
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-4-(1-Fluoro-1-((1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)sulfonyl)ethyl)piperidine hydrochloride
CID 122424292
4-[1-Fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine;hydrochloride
CID 122424294
4-[1-Fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine
CID 122424295
4-[(2,5-Dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
CID 122424316
4-[(2,5-Dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine
CID 122424317
4-[1-[5-(Difluoromethyl)-2-methylpyrazol-3-yl]sulfonyl-1-fluoroethyl]piperidine
CID 122484364
1-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine
CID 170144107
1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 170738135
4-[(1R)-1-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine
CID 122424293
3-methyl-1-(2-methylpropyl)-1H-pyrazole-5-sulfonyl fluoride
CID 165460478
1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 165862357
N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide
CID 166281983

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine (CID 125445860) is [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine is CCn1nc(C)cc1S(=O)(=O)N1CCC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The InChIKey is GNRJHPYGEOMWSI-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-16-12(7-10(2)14-16)19(17,18)15-6-4-5-11(8-13)9-15/h7,11H,3-6,8-9,13H2,1-2H3/t11-/m0/s1.
What are the key properties of [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
[(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine has a molecular weight of 286.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine is sourced from PubChem (CID 125445860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).