N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide

C12H21N3O4S — CID 113147863

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
SMILESCC(=O)N1CCN(C(=O)CN(C2CC2)S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N3O4S/c1-10(16)13-5-7-14(8-6-13)12(17)9-15(11-3-4-11)20(2,18)19/h11H,3-9H2,1-2H3
InChIKeyKWPUIGRDASDWPB-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.90
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide (PubChem CID 113147863) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
PubChem CID113147863
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
SMILESCC(=O)N1CCN(C(=O)CN(C2CC2)S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N3O4S/c1-10(16)13-5-7-14(8-6-13)12(17)9-15(11-3-4-11)20(2,18)19/h11H,3-9H2,1-2H3
InChIKeyKWPUIGRDASDWPB-UHFFFAOYSA-N
XLogP-0.90
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopentylmethanesulfonamide
CID 113148846
N-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113147861
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
CID 113147930
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113153043
N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149024
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113147911
ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152678
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
CID 113149044
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide (CID 113147863) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide is CC(=O)N1CCN(C(=O)CN(C2CC2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide?
The InChIKey is KWPUIGRDASDWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-10(16)13-5-7-14(8-6-13)12(17)9-15(11-3-4-11)20(2,18)19/h11H,3-9H2,1-2H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of -0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide is sourced from PubChem (CID 113147863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).