N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide

C11H22N4O2S — CID 113234815

IUPACN-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1cnn(C(C)C)c1
InChIInChI=1S/C11H22N4O2S/c1-4-14-18(16,17)6-5-12-7-11-8-13-15(9-11)10(2)3/h8-10,12,14H,4-7H2,1-3H3
InChIKeyOHXWLIJCPDJOAJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.49
Rot. Bonds8

About N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide

N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide (PubChem CID 113234815) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide
PubChem CID113234815
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1cnn(C(C)C)c1
InChIInChI=1S/C11H22N4O2S/c1-4-14-18(16,17)6-5-12-7-11-8-13-15(9-11)10(2)3/h8-10,12,14H,4-7H2,1-3H3
InChIKeyOHXWLIJCPDJOAJ-UHFFFAOYSA-N
XLogP0.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide (CID 113234815) is N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide is CCNS(=O)(=O)CCNCc1cnn(C(C)C)c1.
What is the InChIKey of N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide?
The InChIKey is OHXWLIJCPDJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-4-14-18(16,17)6-5-12-7-11-8-13-15(9-11)10(2)3/h8-10,12,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide?
N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 113234815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).