N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C12H23ClN4O2S — CID 120718316

IUPACN-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCNCCC1CCN(S(=O)(=O)c2cnn(C)c2)CC1.Cl
InChIInChI=1S/C12H22N4O2S.ClH/c1-13-6-3-11-4-7-16(8-5-11)19(17,18)12-9-14-15(2)10-12;/h9-11,13H,3-8H2,1-2H3;1H
InChIKeyVLNVBOWGBYXCAY-UHFFFAOYSA-N
MW322.86 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 120718316) has the molecular formula C12H23ClN4O2S and a molecular weight of 322.86 g/mol. Its IUPAC name is N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID120718316
Molecular FormulaC12H23ClN4O2S
Molecular Weight322.86 g/mol
Exact Mass322.12
IUPAC NameN-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCNCCC1CCN(S(=O)(=O)c2cnn(C)c2)CC1.Cl
InChIInChI=1S/C12H22N4O2S.ClH/c1-13-6-3-11-4-7-16(8-5-11)19(17,18)12-9-14-15(2)10-12;/h9-11,13H,3-8H2,1-2H3;1H
InChIKeyVLNVBOWGBYXCAY-UHFFFAOYSA-N
XLogP0.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
CID 120718277
2-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718475
2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-N-methylethanamine
CID 120718522
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 71806786
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718415
2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
CID 119945720
2-methyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341182

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 120718316) is N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is CNCCC1CCN(S(=O)(=O)c2cnn(C)c2)CC1.Cl.
What is the InChIKey of N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is VLNVBOWGBYXCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S.ClH/c1-13-6-3-11-4-7-16(8-5-11)19(17,18)12-9-14-15(2)10-12;/h9-11,13H,3-8H2,1-2H3;1H.
What are the key properties of N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120718316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).