1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide

C13H24N4O3S — CID 8822431

IUPAC1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H24N4O3S/c1-11-13(12(2)16(3)15-11)21(18,19)14-5-4-6-17-7-9-20-10-8-17/h14H,4-10H2,1-3H3
InChIKeyATEZGMMJBASAIH-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.04
Rot. Bonds6

About 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide (PubChem CID 8822431) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
PubChem CID8822431
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H24N4O3S/c1-11-13(12(2)16(3)15-11)21(18,19)14-5-4-6-17-7-9-20-10-8-17/h14H,4-10H2,1-3H3
InChIKeyATEZGMMJBASAIH-UHFFFAOYSA-N
XLogP0.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide (CID 8822431) is 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The InChIKey is ATEZGMMJBASAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-11-13(12(2)16(3)15-11)21(18,19)14-5-4-6-17-7-9-20-10-8-17/h14H,4-10H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 8822431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).