[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

C15H21ClN4O2S — CID 119969606

IUPAC[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O2S.ClH/c16-10-14-8-4-5-9-19(14)22(20,21)15-11-17-18(12-15)13-6-2-1-3-7-13;/h1-3,6-7,11-12,14H,4-5,8-10,16H2;1H
InChIKeyFFVBJGDXHJBVSX-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.80
Rot. Bonds4

About [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119969606) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119969606
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC Name[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O2S.ClH/c16-10-14-8-4-5-9-19(14)22(20,21)15-11-17-18(12-15)13-6-2-1-3-7-13;/h1-3,6-7,11-12,14H,4-5,8-10,16H2;1H
InChIKeyFFVBJGDXHJBVSX-UHFFFAOYSA-N
XLogP1.80
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991320
1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one
CID 166221559
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 51094154
[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide
CID 97257956
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
(1S,6R)-2-(1-phenylpyrazol-4-yl)sulfonyl-2-azabicyclo[4.1.0]heptane-1-carboxamide
CID 166281986
N-methyl-1-[1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990922
(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962892
N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide
CID 119986497
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733

Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (CID 119969606) is [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is FFVBJGDXHJBVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c16-10-14-8-4-5-9-19(14)22(20,21)15-11-17-18(12-15)13-6-2-1-3-7-13;/h1-3,6-7,11-12,14H,4-5,8-10,16H2;1H.
What are the key properties of [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).