3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide

C8H15N3O5S2 — CID 61131991

IUPAC3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C8H15N3O5S2/c1-6-8(7(2)16-11-6)18(14,15)10-4-3-5-17(9,12)13/h10H,3-5H2,1-2H3,(H2,9,12,13)
InChIKeyYSCSETVCTPFHKP-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.75
Rot. Bonds6

About 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide (PubChem CID 61131991) has the molecular formula C8H15N3O5S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
PubChem CID61131991
Molecular FormulaC8H15N3O5S2
Molecular Weight297.36 g/mol
Exact Mass297.05
IUPAC Name3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C8H15N3O5S2/c1-6-8(7(2)16-11-6)18(14,15)10-4-3-5-17(9,12)13/h10H,3-5H2,1-2H3,(H2,9,12,13)
InChIKeyYSCSETVCTPFHKP-UHFFFAOYSA-N
XLogP-0.75
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103834780
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
3,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]-1,2-oxazole-4-sulfonamide
CID 55681869
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 48945511
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide (CID 61131991) is 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is YSCSETVCTPFHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5S2/c1-6-8(7(2)16-11-6)18(14,15)10-4-3-5-17(9,12)13/h10H,3-5H2,1-2H3,(H2,9,12,13).
What are the key properties of 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 61131991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).