N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C14H23N5O4S — CID 122332327

IUPACN-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCOc1cc(N2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)nc(C)n1
InChIInChI=1S/C14H23N5O4S/c1-11-15-12(9-13(16-11)23-3)18-5-7-19(8-6-18)14(20)10-17(2)24(4,21)22/h9H,5-8,10H2,1-4H3
InChIKeyILPZXGJZTJBONJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP-0.67
Rot. Bonds5

About N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 122332327) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID122332327
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC NameN-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCOc1cc(N2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)nc(C)n1
InChIInChI=1S/C14H23N5O4S/c1-11-15-12(9-13(16-11)23-3)18-5-7-19(8-6-18)14(20)10-17(2)24(4,21)22/h9H,5-8,10H2,1-4H3
InChIKeyILPZXGJZTJBONJ-UHFFFAOYSA-N
XLogP-0.67
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
N-methyl-N-[2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122343492
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 121035141
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122332287
2-(2-fluorophenyl)-1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122332331
N-[2-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122342702
N-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122339263
N-methyl-N-[2-oxo-2-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122341605
N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122338267
N-[2-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122336706
N-methyl-N-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122349538
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 122332327) is N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is COc1cc(N2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)nc(C)n1.
What is the InChIKey of N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is ILPZXGJZTJBONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-11-15-12(9-13(16-11)23-3)18-5-7-19(8-6-18)14(20)10-17(2)24(4,21)22/h9H,5-8,10H2,1-4H3.
What are the key properties of N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 357.44 g/mol, XLogP of -0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 122332327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).