(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine

C15H27N5O3S — CID 92634262

IUPAC(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine
SMILESCc1cnn(CC(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H27N5O3S/c1-13-10-16-19(11-13)12-15(21)20-9-5-4-6-14(20)7-8-17-24(22,23)18(2)3/h10-11,14,17H,4-9,12H2,1-3H3/t14-/m0/s1
InChIKeyOPKBBVGAUXHELQ-AWEZNQCLSA-N
MW357.48 g/mol
LogP0.36
Rot. Bonds7

About (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine

(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine (PubChem CID 92634262) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine
PubChem CID92634262
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine
SMILESCc1cnn(CC(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H27N5O3S/c1-13-10-16-19(11-13)12-15(21)20-9-5-4-6-14(20)7-8-17-24(22,23)18(2)3/h10-11,14,17H,4-9,12H2,1-3H3/t14-/m0/s1
InChIKeyOPKBBVGAUXHELQ-AWEZNQCLSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70725098
1-[2-(azepan-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 46957693
4-[2-[(2S)-2-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1,3-thiazole
CID 92634264
N-[3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56779064
(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine
CID 92634248
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97115498
2-cyclopentylsulfonyl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95605681
2-cyclopentylsulfonyl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56802359
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779092

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine?
The IUPAC name of (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine (CID 92634262) is (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine.
What is the SMILES notation for (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine?
The canonical SMILES for (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine is Cc1cnn(CC(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)c1.
What is the InChIKey of (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine?
The InChIKey is OPKBBVGAUXHELQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-13-10-16-19(11-13)12-15(21)20-9-5-4-6-14(20)7-8-17-24(22,23)18(2)3/h10-11,14,17H,4-9,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine?
(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine has a molecular weight of 357.48 g/mol, XLogP of 0.36, 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-[2-(4-methylpyrazol-1-yl)acetyl]piperidine is sourced from PubChem (CID 92634262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).