N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide

C12H25N3O3S — CID 113148449

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(=O)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-11(2)9-15(19(4,17)18)10-12(16)14-7-5-13(3)6-8-14/h11H,5-10H2,1-4H3
InChIKeyJUVJEUUPGFVWAD-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.32
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide (PubChem CID 113148449) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
PubChem CID113148449
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(=O)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-11(2)9-15(19(4,17)18)10-12(16)14-7-5-13(3)6-8-14/h11H,5-10H2,1-4H3
InChIKeyJUVJEUUPGFVWAD-UHFFFAOYSA-N
XLogP-0.32
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148481
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148483
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153265
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151747
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113151250
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 113151434
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148588
2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 61348571
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113153043
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propylmethanesulfonamide
CID 113147458

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide (CID 113148449) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide is CC(C)CN(CC(=O)N1CCN(C)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is JUVJEUUPGFVWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-11(2)9-15(19(4,17)18)10-12(16)14-7-5-13(3)6-8-14/h11H,5-10H2,1-4H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 113148449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).