3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride

C8H16ClN3O3S — CID 119972982

IUPAC3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C8H15N3O3S.ClH/c1-6-8(7(2)14-11-6)15(12,13)10-5-4-9-3;/h9-10H,4-5H2,1-3H3;1H
InChIKeyXWPFEISQBFUGSS-UHFFFAOYSA-N
MW269.75 g/mol
LogP0.21
Rot. Bonds5

About 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride

3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 119972982) has the molecular formula C8H16ClN3O3S and a molecular weight of 269.75 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID119972982
Molecular FormulaC8H16ClN3O3S
Molecular Weight269.75 g/mol
Exact Mass269.06
IUPAC Name3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C8H15N3O3S.ClH/c1-6-8(7(2)14-11-6)15(12,13)10-5-4-9-3;/h9-10H,4-5H2,1-3H3;1H
InChIKeyXWPFEISQBFUGSS-UHFFFAOYSA-N
XLogP0.21
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
CID 119501278
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
3,5-dimethyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110320355

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride (CID 119972982) is 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride is CNCCNS(=O)(=O)c1c(C)noc1C.Cl.
What is the InChIKey of 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is XWPFEISQBFUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S.ClH/c1-6-8(7(2)14-11-6)15(12,13)10-5-4-9-3;/h9-10H,4-5H2,1-3H3;1H.
What are the key properties of 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride?
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 269.75 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119972982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).