N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride

C12H21ClN4O4S — CID 119967422

IUPACN,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C12H20N4O4S.ClH/c1-9-12(10(2)20-14-9)21(18,19)15(3)8-11(17)16-6-4-13-5-7-16;/h13H,4-8H2,1-3H3;1H
InChIKeySYWUSBVOXUUXPN-UHFFFAOYSA-N
MW352.84 g/mol
LogP-0.23
Rot. Bonds4

About N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride

N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 119967422) has the molecular formula C12H21ClN4O4S and a molecular weight of 352.84 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID119967422
Molecular FormulaC12H21ClN4O4S
Molecular Weight352.84 g/mol
Exact Mass352.10
IUPAC NameN,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C12H20N4O4S.ClH/c1-9-12(10(2)20-14-9)21(18,19)15(3)8-11(17)16-6-4-13-5-7-16;/h13H,4-8H2,1-3H3;1H
InChIKeySYWUSBVOXUUXPN-UHFFFAOYSA-N
XLogP-0.23
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 17402913
2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967328
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531
2,4,6-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967473
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 61019091
N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 62061381
N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 24608465
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60700136
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371
N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 62373281

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride (CID 119967422) is N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride is Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is SYWUSBVOXUUXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S.ClH/c1-9-12(10(2)20-14-9)21(18,19)15(3)8-11(17)16-6-4-13-5-7-16;/h13H,4-8H2,1-3H3;1H.
What are the key properties of N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride?
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119967422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).