N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine

C12H19F3N4O2S — CID 120709741

IUPACN-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine
SMILESCNCC1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1
InChIInChI=1S/C12H19F3N4O2S/c1-16-6-10-2-4-19(5-3-10)22(20,21)11-7-17-18(8-11)9-12(13,14)15/h7-8,10,16H,2-6,9H2,1H3
InChIKeyPZIUUHHVNSKTCV-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.07
Rot. Bonds5

About N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine

N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine (PubChem CID 120709741) has the molecular formula C12H19F3N4O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine
PubChem CID120709741
Molecular FormulaC12H19F3N4O2S
Molecular Weight340.37 g/mol
Exact Mass340.12
IUPAC NameN-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine
SMILESCNCC1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1
InChIInChI=1S/C12H19F3N4O2S/c1-16-6-10-2-4-19(5-3-10)22(20,21)11-7-17-18(8-11)9-12(13,14)15/h7-8,10,16H,2-6,9H2,1H3
InChIKeyPZIUUHHVNSKTCV-UHFFFAOYSA-N
XLogP1.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-ethylpyrazole-4-sulfonamide
CID 6466244
(3R*,4S*)-4-propyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 72874326
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
3-Ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 47034904
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 56894259
1-(1-Propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 71688427
methyl 4-[(1-methyl-1H-pyrazole-4-sulfonamido)methyl]piperidine-1-carboxylate
CID 71806813
Butyl[(1-ethylpyrazol-4-yl)sulfonyl]amine
CID 6466889
1-[[1-(1-Ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 50848240
N-(tert-butyl)-4-((1-methyl-1H-pyrazole-4-sulfonamido)methyl)piperidine-1-carboxamide
CID 71806773
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806875

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine (CID 120709741) is N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine is CNCC1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine?
The InChIKey is PZIUUHHVNSKTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2S/c1-16-6-10-2-4-19(5-3-10)22(20,21)11-7-17-18(8-11)9-12(13,14)15/h7-8,10,16H,2-6,9H2,1H3.
What are the key properties of N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine?
N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine has a molecular weight of 340.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 120709741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).