2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine

C11H20N4O3S — CID 102971787

IUPAC2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine
SMILESCOC1CCCN(S(=O)(=O)c2cnn(CCN)c2)C1
InChIInChI=1S/C11H20N4O3S/c1-18-10-3-2-5-15(8-10)19(16,17)11-7-13-14(9-11)6-4-12/h7,9-10H,2-6,8,12H2,1H3
InChIKeyVSLFBUBDAPFHMK-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.36
Rot. Bonds5

About 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine

2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine (PubChem CID 102971787) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine
PubChem CID102971787
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine
SMILESCOC1CCCN(S(=O)(=O)c2cnn(CCN)c2)C1
InChIInChI=1S/C11H20N4O3S/c1-18-10-3-2-5-15(8-10)19(16,17)11-7-13-14(9-11)6-4-12/h7,9-10H,2-6,8,12H2,1H3
InChIKeyVSLFBUBDAPFHMK-UHFFFAOYSA-N
XLogP-0.36
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine
CID 104961664
[2-chloro-3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanamine
CID 102971844
5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 102964589
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 61403798
1-(2-chloroethyl)-4-(3-ethylpyrrolidin-1-yl)sulfonylpyrazole
CID 113419392
(4aR,8aR)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 75389859
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)pyrazol-1-yl]-N-methylethanamine
CID 79936069
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
CID 103697564

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine (CID 102971787) is 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine is COC1CCCN(S(=O)(=O)c2cnn(CCN)c2)C1.
What is the InChIKey of 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine?
The InChIKey is VSLFBUBDAPFHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-18-10-3-2-5-15(8-10)19(16,17)11-7-13-14(9-11)6-4-12/h7,9-10H,2-6,8,12H2,1H3.
What are the key properties of 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine?
2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine has a molecular weight of 288.37 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 102971787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).