2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide

C11H22N2O4S — CID 65159364

IUPAC2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCS(N)(=O)=O)C1C
InChIInChI=1S/C11H22N2O4S/c1-7-8(2)17-9(3)10(7)11(14)13-5-4-6-18(12,15)16/h7-10H,4-6H2,1-3H3,(H,13,14)(H2,12,15,16)
InChIKeyBQWIWIRNVWDZSL-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.16
Rot. Bonds5

About 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide

2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide (PubChem CID 65159364) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide
PubChem CID65159364
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCS(N)(=O)=O)C1C
InChIInChI=1S/C11H22N2O4S/c1-7-8(2)17-9(3)10(7)11(14)13-5-4-6-18(12,15)16/h7-10H,4-6H2,1-3H3,(H,13,14)(H2,12,15,16)
InChIKeyBQWIWIRNVWDZSL-UHFFFAOYSA-N
XLogP-0.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide (CID 65159364) is 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide is CC1OC(C)C(C(=O)NCCCS(N)(=O)=O)C1C.
What is the InChIKey of 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide?
The InChIKey is BQWIWIRNVWDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-7-8(2)17-9(3)10(7)11(14)13-5-4-6-18(12,15)16/h7-10H,4-6H2,1-3H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide?
2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 65159364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).