N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine

C15H28N4O3S — CID 51105068

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2c(C)nn(C)c2OC)CC1
InChIInChI=1S/C15H28N4O3S/c1-5-10-23(20,21)19-8-6-13(7-9-19)16-11-14-12(2)17-18(3)15(14)22-4/h13,16H,5-11H2,1-4H3
InChIKeyZQXSQLMFFMRKNO-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.03
Rot. Bonds7

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine (PubChem CID 51105068) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
PubChem CID51105068
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2c(C)nn(C)c2OC)CC1
InChIInChI=1S/C15H28N4O3S/c1-5-10-23(20,21)19-8-6-13(7-9-19)16-11-14-12(2)17-18(3)15(14)22-4/h13,16H,5-11H2,1-4H3
InChIKeyZQXSQLMFFMRKNO-UHFFFAOYSA-N
XLogP1.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 51104849
N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide
CID 51105058
n-((5-Methoxy-1,3-dimethyl-1h-pyrazol-4-yl)methyl)-2-(methylsulfonyl)ethan-1-amine
CID 51105378
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 51105381
N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]ethanesulfonamide
CID 53543887
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107053
N-[3-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 119111397
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 121562104
(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanesulfonyl fluoride
CID 165519470
[1-cyclohexyl-3-methyl-4-(sulfonylmethyl)pyrazol-5-yl] N-ethylcarbamate
CID 88628125
1-Methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine
CID 170445430
N-[[5-ethoxy-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
CID 51074630

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine (CID 51105068) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NCc2c(C)nn(C)c2OC)CC1.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The InChIKey is ZQXSQLMFFMRKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-5-10-23(20,21)19-8-6-13(7-9-19)16-11-14-12(2)17-18(3)15(14)22-4/h13,16H,5-11H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine has a molecular weight of 344.48 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 51105068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).