N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide

C12H23N3O4S — CID 56873760

IUPACN-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide
SMILESCCN1CCN(C(=O)CCN(C)S(C)(=O)=O)C(C)C1=O
InChIInChI=1S/C12H23N3O4S/c1-5-14-8-9-15(10(2)12(14)17)11(16)6-7-13(3)20(4,18)19/h10H,5-9H2,1-4H3
InChIKeyUKPMWWPOKXUXDX-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.65
Rot. Bonds5

About N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide

N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide (PubChem CID 56873760) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide
PubChem CID56873760
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide
SMILESCCN1CCN(C(=O)CCN(C)S(C)(=O)=O)C(C)C1=O
InChIInChI=1S/C12H23N3O4S/c1-5-14-8-9-15(10(2)12(14)17)11(16)6-7-13(3)20(4,18)19/h10H,5-9H2,1-4H3
InChIKeyUKPMWWPOKXUXDX-UHFFFAOYSA-N
XLogP-0.65
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383315
1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383319
N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 71896149
2,2-dimethyl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]propan-1-one
CID 127751743
1-(4-Methylsulfonylpiperazin-1-yl)propan-1-one
CID 23069083
(2-Oxo-4-propan-2-ylpiperazin-1-yl)methanesulfonamide
CID 57815154
N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide
CID 59703712
N-ethyl-1-methylsulfonylpiperazine-2-carboxamide
CID 59703722
N-ethyl-1-methylsulfonyl-4-propanoylpiperazine-2-carboxamide
CID 59703796
4-acetyl-N-ethyl-1-methylsulfonylpiperazine-2-carboxamide
CID 59703838
N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
CID 59703859
(2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide
CID 59884573

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide (CID 56873760) is N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide is CCN1CCN(C(=O)CCN(C)S(C)(=O)=O)C(C)C1=O.
What is the InChIKey of N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide?
The InChIKey is UKPMWWPOKXUXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-5-14-8-9-15(10(2)12(14)17)11(16)6-7-13(3)20(4,18)19/h10H,5-9H2,1-4H3.
What are the key properties of N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide?
N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of -0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 56873760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).