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

C12H22N4O3S — CID 30858878

IUPAC1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H22N4O3S/c1-11-12(10-15(2)14-11)20(17,18)13-4-3-5-16-6-8-19-9-7-16/h10,13H,3-9H2,1-2H3
InChIKeyMUILBVIVSCPQAE-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.27
Rot. Bonds6

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

1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide (PubChem CID 30858878) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
PubChem CID30858878
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H22N4O3S/c1-11-12(10-15(2)14-11)20(17,18)13-4-3-5-16-6-8-19-9-7-16/h10,13H,3-9H2,1-2H3
InChIKeyMUILBVIVSCPQAE-UHFFFAOYSA-N
XLogP-0.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.27
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-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide (CID 30858878) is 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The InChIKey is MUILBVIVSCPQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-11-12(10-15(2)14-11)20(17,18)13-4-3-5-16-6-8-19-9-7-16/h10,13H,3-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 30858878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).