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

C14H27N5O3S — CID 51104850

IUPACN-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
SMILESCc1nn(C)c(N2CCOCC2)c1CNCCCNS(C)(=O)=O
InChIInChI=1S/C14H27N5O3S/c1-12-13(11-15-5-4-6-16-23(3,20)21)14(18(2)17-12)19-7-9-22-10-8-19/h15-16H,4-11H2,1-3H3
InChIKeyWURACTRUFPMDOY-UHFFFAOYSA-N
MW345.47 g/mol
LogP-0.41
Rot. Bonds8

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

N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide (PubChem CID 51104850) has the molecular formula C14H27N5O3S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
PubChem CID51104850
Molecular FormulaC14H27N5O3S
Molecular Weight345.47 g/mol
Exact Mass345.18
IUPAC NameN-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
SMILESCc1nn(C)c(N2CCOCC2)c1CNCCCNS(C)(=O)=O
InChIInChI=1S/C14H27N5O3S/c1-12-13(11-15-5-4-6-16-23(3,20)21)14(18(2)17-12)19-7-9-22-10-8-19/h15-16H,4-11H2,1-3H3
InChIKeyWURACTRUFPMDOY-UHFFFAOYSA-N
XLogP-0.41
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 5-0.41
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-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide (CID 51104850) is N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide is Cc1nn(C)c(N2CCOCC2)c1CNCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is WURACTRUFPMDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3S/c1-12-13(11-15-5-4-6-16-23(3,20)21)14(18(2)17-12)19-7-9-22-10-8-19/h15-16H,4-11H2,1-3H3.
What are the key properties of N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of -0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 51104850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).