(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine

C15H27N5O3S — CID 92634248

IUPAC(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine
SMILESCCn1ccc(C(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H27N5O3S/c1-4-19-12-9-14(17-19)15(21)20-11-6-5-7-13(20)8-10-16-24(22,23)18(2)3/h9,12-13,16H,4-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyOFPUDRQIWJSFPA-ZDUSSCGKSA-N
MW357.48 g/mol
LogP0.68
Rot. Bonds7

About (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine

(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine (PubChem CID 92634248) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine
PubChem CID92634248
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine
SMILESCCn1ccc(C(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H27N5O3S/c1-4-19-12-9-14(17-19)15(21)20-11-6-5-7-13(20)8-10-16-24(22,23)18(2)3/h9,12-13,16H,4-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyOFPUDRQIWJSFPA-ZDUSSCGKSA-N
XLogP0.68
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2S)-2-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1,3-thiazole
CID 92634264
N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97206852
N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339701
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122367
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 87047179
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 119727540
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine?
The IUPAC name of (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine (CID 92634248) is (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine.
What is the SMILES notation for (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine?
The canonical SMILES for (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine is CCn1ccc(C(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)n1.
What is the InChIKey of (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine?
The InChIKey is OFPUDRQIWJSFPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-4-19-12-9-14(17-19)15(21)20-11-6-5-7-13(20)8-10-16-24(22,23)18(2)3/h9,12-13,16H,4-8,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine?
(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine has a molecular weight of 357.48 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine is sourced from PubChem (CID 92634248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).