1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide

C11H20N4O3S — CID 30858875

IUPAC1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C11H20N4O3S/c1-10-11(9-14(2)13-10)19(16,17)12-3-4-15-5-7-18-8-6-15/h9,12H,3-8H2,1-2H3
InChIKeyWGIIGXXBGZIABI-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.66
Rot. Bonds5

About 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide (PubChem CID 30858875) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide
PubChem CID30858875
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C11H20N4O3S/c1-10-11(9-14(2)13-10)19(16,17)12-3-4-15-5-7-18-8-6-15/h9,12H,3-8H2,1-2H3
InChIKeyWGIIGXXBGZIABI-UHFFFAOYSA-N
XLogP-0.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide (CID 30858875) is 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is WGIIGXXBGZIABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-10-11(9-14(2)13-10)19(16,17)12-3-4-15-5-7-18-8-6-15/h9,12H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 30858875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).