N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride

C13H26ClN5O3S — CID 51131310

IUPACN-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride
SMILESCc1nn(C)c(N2CCOCC2)c1CNCCNS(C)(=O)=O.Cl
InChIInChI=1S/C13H25N5O3S.ClH/c1-11-12(10-14-4-5-15-22(3,19)20)13(17(2)16-11)18-6-8-21-9-7-18;/h14-15H,4-10H2,1-3H3;1H
InChIKeyLPXUJTKHDRFTAY-UHFFFAOYSA-N
MW367.90 g/mol
LogP-0.37
Rot. Bonds7

About N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride

N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride (PubChem CID 51131310) has the molecular formula C13H26ClN5O3S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride
PubChem CID51131310
Molecular FormulaC13H26ClN5O3S
Molecular Weight367.90 g/mol
Exact Mass367.14
IUPAC NameN-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride
SMILESCc1nn(C)c(N2CCOCC2)c1CNCCNS(C)(=O)=O.Cl
InChIInChI=1S/C13H25N5O3S.ClH/c1-11-12(10-14-4-5-15-22(3,19)20)13(17(2)16-11)18-6-8-21-9-7-18;/h14-15H,4-10H2,1-3H3;1H
InChIKeyLPXUJTKHDRFTAY-UHFFFAOYSA-N
XLogP-0.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride 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-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride (CID 51131310) is N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride is Cc1nn(C)c(N2CCOCC2)c1CNCCNS(C)(=O)=O.Cl.
What is the InChIKey of N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride?
The InChIKey is LPXUJTKHDRFTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S.ClH/c1-11-12(10-14-4-5-15-22(3,19)20)13(17(2)16-11)18-6-8-21-9-7-18;/h14-15H,4-10H2,1-3H3;1H.
What are the key properties of N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride?
N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 51131310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).