N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine

C13H24N4O2S — CID 103504276

IUPACN-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine
SMILESCNCc1cn[nH]c1S(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H24N4O2S/c1-10(2)11-4-6-17(7-5-11)20(18,19)13-12(8-14-3)9-15-16-13/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyODBLOZOINOVABG-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.19
Rot. Bonds5

About N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine

N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine (PubChem CID 103504276) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine
PubChem CID103504276
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine
SMILESCNCc1cn[nH]c1S(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H24N4O2S/c1-10(2)11-4-6-17(7-5-11)20(18,19)13-12(8-14-3)9-15-16-13/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyODBLOZOINOVABG-UHFFFAOYSA-N
XLogP1.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076678
N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 114551758
4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106018839
N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 106590018
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106002887
4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064257
N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103504278
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 54934357
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine (CID 103504276) is N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine is CNCc1cn[nH]c1S(=O)(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine?
The InChIKey is ODBLOZOINOVABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)11-4-6-17(7-5-11)20(18,19)13-12(8-14-3)9-15-16-13/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine?
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine has a molecular weight of 300.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 103504276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).