N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C12H18N4O5S — CID 113157747

IUPACN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)no1
InChIInChI=1S/C12H18N4O5S/c1-10-7-11(13-21-10)16(22(2,19)20)8-12(18)15-5-3-14(9-17)4-6-15/h7,9H,3-6,8H2,1-2H3
InChIKeySCOZLKBCVOGFLD-UHFFFAOYSA-N
MW330.37 g/mol
LogP-0.95
Rot. Bonds5

About N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 113157747) has the molecular formula C12H18N4O5S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID113157747
Molecular FormulaC12H18N4O5S
Molecular Weight330.37 g/mol
Exact Mass330.10
IUPAC NameN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)no1
InChIInChI=1S/C12H18N4O5S/c1-10-7-11(13-21-10)16(22(2,19)20)8-12(18)15-5-3-14(9-17)4-6-15/h7,9H,3-6,8H2,1-2H3
InChIKeySCOZLKBCVOGFLD-UHFFFAOYSA-N
XLogP-0.95
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113157768
N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113147314
N-(3,4-difluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157684
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30272318
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113157883
N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157359
2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113157726
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157819
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)methanesulfonamide
CID 113141610
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157887
N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157744
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157845

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 113157747) is N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)no1.
What is the InChIKey of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is SCOZLKBCVOGFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5S/c1-10-7-11(13-21-10)16(22(2,19)20)8-12(18)15-5-3-14(9-17)4-6-15/h7,9H,3-6,8H2,1-2H3.
What are the key properties of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 330.37 g/mol, XLogP of -0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 113157747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).