N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine

C15H28N4O3S — CID 51105382

IUPACN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCCS(C)(=O)=O
InChIInChI=1S/C15H28N4O3S/c1-12(2)14-13(11-16-5-10-23(4,20)21)15(18(3)17-14)19-6-8-22-9-7-19/h12,16H,5-11H2,1-4H3
InChIKeyARGIXPRANNJCAQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP0.51
Rot. Bonds7

About N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine

N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine (PubChem CID 51105382) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine
PubChem CID51105382
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC NameN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCCS(C)(=O)=O
InChIInChI=1S/C15H28N4O3S/c1-12(2)14-13(11-16-5-10-23(4,20)21)15(18(3)17-14)19-6-8-22-9-7-19/h12,16H,5-11H2,1-4H3
InChIKeyARGIXPRANNJCAQ-UHFFFAOYSA-N
XLogP0.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine?
The IUPAC name of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine (CID 51105382) is N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine is CC(C)c1nn(C)c(N2CCOCC2)c1CNCCS(C)(=O)=O.
What is the InChIKey of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine?
The InChIKey is ARGIXPRANNJCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-12(2)14-13(11-16-5-10-23(4,20)21)15(18(3)17-14)19-6-8-22-9-7-19/h12,16H,5-11H2,1-4H3.
What are the key properties of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine?
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine has a molecular weight of 344.48 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 51105382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).