N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride

C7H14ClN3O3S — CID 119960057

IUPACN-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)NCCN.Cl
InChIInChI=1S/C7H13N3O3S.ClH/c1-5-7(6(2)13-10-5)14(11,12)9-4-3-8;/h9H,3-4,8H2,1-2H3;1H
InChIKeyBJMXKPIJOKACRS-UHFFFAOYSA-N
MW255.73 g/mol
LogP-0.05
Rot. Bonds4

About N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride

N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 119960057) has the molecular formula C7H14ClN3O3S and a molecular weight of 255.73 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID119960057
Molecular FormulaC7H14ClN3O3S
Molecular Weight255.73 g/mol
Exact Mass255.04
IUPAC NameN-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)NCCN.Cl
InChIInChI=1S/C7H13N3O3S.ClH/c1-5-7(6(2)13-10-5)14(11,12)9-4-3-8;/h9H,3-4,8H2,1-2H3;1H
InChIKeyBJMXKPIJOKACRS-UHFFFAOYSA-N
XLogP-0.05
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
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-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
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
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
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 N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride (CID 119960057) is N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride is Cc1noc(C)c1S(=O)(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is BJMXKPIJOKACRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S.ClH/c1-5-7(6(2)13-10-5)14(11,12)9-4-3-8;/h9H,3-4,8H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 255.73 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119960057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).