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

C13H25N5O3S — CID 51131311

IUPACN-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1nn(C)c(N2CCOCC2)c1CNCCNS(C)(=O)=O
InChIInChI=1S/C13H25N5O3S/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
InChIKeyIWCOMHWSSGFFBL-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.80
Rot. Bonds7

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

N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 51131311) has the molecular formula C13H25N5O3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide
PubChem CID51131311
Molecular FormulaC13H25N5O3S
Molecular Weight331.44 g/mol
Exact Mass331.17
IUPAC NameN-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1nn(C)c(N2CCOCC2)c1CNCCNS(C)(=O)=O
InChIInChI=1S/C13H25N5O3S/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
InChIKeyIWCOMHWSSGFFBL-UHFFFAOYSA-N
XLogP-0.80
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide (CID 51131311) is N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide is Cc1nn(C)c(N2CCOCC2)c1CNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is IWCOMHWSSGFFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S/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.
What are the key properties of N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 331.44 g/mol, XLogP of -0.80, 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 is sourced from PubChem (CID 51131311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).