N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine

C12H22N4O2S — CID 102690327

IUPACN-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C12H22N4O2S/c1-3-13-10(2)11-5-4-8-16(9-11)19(17,18)12-6-7-14-15-12/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,14,15)
InChIKeyAVHPECUSTVENLX-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.81
Rot. Bonds5

About N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine

N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine (PubChem CID 102690327) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine
PubChem CID102690327
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C12H22N4O2S/c1-3-13-10(2)11-5-4-8-16(9-11)19(17,18)12-6-7-14-15-12/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,14,15)
InChIKeyAVHPECUSTVENLX-UHFFFAOYSA-N
XLogP0.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692682
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692683
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692781
1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 102692807
1-(1H-pyrazol-5-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 113725769
4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 155952046
4-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]piperidine
CID 54885468
N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54936974
N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54937020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine (CID 102690327) is N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(S(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine?
The InChIKey is AVHPECUSTVENLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-13-10(2)11-5-4-8-16(9-11)19(17,18)12-6-7-14-15-12/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine?
N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 102690327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).