N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine

C13H24N4O2S — CID 102692300

IUPACN-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-16(4-2)11-12-6-9-17(10-7-12)20(18,19)13-5-8-14-15-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H,14,15)
InChIKeyAGXRKOGWWCQHQK-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.15
Rot. Bonds6

About N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine

N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 102692300) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
PubChem CID102692300
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-16(4-2)11-12-6-9-17(10-7-12)20(18,19)13-5-8-14-15-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H,14,15)
InChIKeyAGXRKOGWWCQHQK-UHFFFAOYSA-N
XLogP1.15
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
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
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692168
1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 102692807
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-sulfonamide
CID 102692813
1-(1H-pyrazol-5-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 113725769
4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 155952046
N',N'-dimethyl-1H-pyrazole-5-sulfonohydrazide
CID 102693284
4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 47268285
N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292297

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine (CID 102692300) is N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine is CCN(CC)CC1CCN(S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is AGXRKOGWWCQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-16(4-2)11-12-6-9-17(10-7-12)20(18,19)13-5-8-14-15-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine?
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 300.43 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 102692300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).