N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide

C10H21N3O3S — CID 136582285

IUPACN-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/C10H21N3O3S/c1-8-5-13(6-9(2)12(8)4)10(14)7-17(15,16)11-3/h8-9,11H,5-7H2,1-4H3/t8-,9+
InChIKeyFIOFUBVSKUGITE-DTORHVGOSA-N
MW263.36 g/mol
LogP-0.91
Rot. Bonds3

About N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide

N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide (PubChem CID 136582285) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide
PubChem CID136582285
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/C10H21N3O3S/c1-8-5-13(6-9(2)12(8)4)10(14)7-17(15,16)11-3/h8-9,11H,5-7H2,1-4H3/t8-,9+
InChIKeyFIOFUBVSKUGITE-DTORHVGOSA-N
XLogP-0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide (CID 136582285) is N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide is CNS(=O)(=O)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1.
What is the InChIKey of N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide?
The InChIKey is FIOFUBVSKUGITE-DTORHVGOSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-8-5-13(6-9(2)12(8)4)10(14)7-17(15,16)11-3/h8-9,11H,5-7H2,1-4H3/t8-,9+.
What are the key properties of N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide?
N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide has a molecular weight of 263.36 g/mol, XLogP of -0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide is sourced from PubChem (CID 136582285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).