N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide

C12H23N3O4S — CID 63605854

IUPACN-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C12H23N3O4S/c1-5-8-20(18,19)14-9(2)10(16)15-7-6-13-11(17)12(15,3)4/h9,14H,5-8H2,1-4H3,(H,13,17)
InChIKeyBAMQYUHQLYJGSE-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.56
Rot. Bonds5

About N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide

N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide (PubChem CID 63605854) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
PubChem CID63605854
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C12H23N3O4S/c1-5-8-20(18,19)14-9(2)10(16)15-7-6-13-11(17)12(15,3)4/h9,14H,5-8H2,1-4H3,(H,13,17)
InChIKeyBAMQYUHQLYJGSE-UHFFFAOYSA-N
XLogP-0.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
CID 120500452
4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 63608085
2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 63606570
4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one
CID 63607228
2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 83058184
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid
CID 63607802
4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63606211
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide (CID 63605854) is N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide?
The InChIKey is BAMQYUHQLYJGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-5-8-20(18,19)14-9(2)10(16)15-7-6-13-11(17)12(15,3)4/h9,14H,5-8H2,1-4H3,(H,13,17).
What are the key properties of N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide?
N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 63605854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).