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

C11H20N4O2S — CID 102690328

IUPACN-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C11H20N4O2S/c1-9(12-2)10-4-7-15(8-5-10)18(16,17)11-3-6-13-14-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,13,14)
InChIKeyJEEQVUSWKKWWJA-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.42
Rot. Bonds4

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

N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine (PubChem CID 102690328) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
PubChem CID102690328
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C11H20N4O2S/c1-9(12-2)10-4-7-15(8-5-10)18(16,17)11-3-6-13-14-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,13,14)
InChIKeyJEEQVUSWKKWWJA-UHFFFAOYSA-N
XLogP0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 102690331
5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 102693338
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102692305
4-methylsulfanyl-1-(1H-pyrazol-5-ylsulfonyl)azepane
CID 114238088
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
5-(1H-pyrazol-5-ylsulfonyl)-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 102690954
4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile
CID 107160788
1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine
CID 102694117
1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
CID 102691211

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine (CID 102690328) is N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine is CNC(C)C1CCN(S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine?
The InChIKey is JEEQVUSWKKWWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(12-2)10-4-7-15(8-5-10)18(16,17)11-3-6-13-14-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine?
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine has a molecular weight of 272.37 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 102690328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).