(3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine

C8H18N2O3S — CID 104976576

IUPAC(3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine
SMILESCOCCS(=O)(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C8H18N2O3S/c1-8-7-10(4-3-9-8)14(11,12)6-5-13-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyXOFMGRQVORPHRY-QMMMGPOBSA-N
MW222.31 g/mol
LogP-0.74
Rot. Bonds4

About (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine

(3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine (PubChem CID 104976576) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine
PubChem CID104976576
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine
SMILESCOCCS(=O)(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C8H18N2O3S/c1-8-7-10(4-3-9-8)14(11,12)6-5-13-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyXOFMGRQVORPHRY-QMMMGPOBSA-N
XLogP-0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Methoxypropanesulfonyl)piperazine hydrochloride
CID 71756651
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-(2-morpholin-4-ylpropyl)propane-1-sulfonamide
CID 75414492
N,N-dimethyl-3-(3-methylpiperazin-1-yl)sulfonylpropane-1-sulfonamide
CID 121555234
3-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propane-1-sulfonamide
CID 82810986
2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
CID 82811693
2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
CID 82817082
1-(3-Fluoropropylsulfonyl)-2-methylpiperazine
CID 119969689
1-(3-Fluoropropylsulfonyl)-3-methylpiperazine
CID 119981833
1-(3-Fluoropropylsulfonyl)-2,3-dimethylpiperazine
CID 120725565
2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide;hydrochloride
CID 120778361

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine?
The IUPAC name of (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine (CID 104976576) is (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine.
What is the SMILES notation for (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine?
The canonical SMILES for (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine is COCCS(=O)(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine?
The InChIKey is XOFMGRQVORPHRY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8-7-10(4-3-9-8)14(11,12)6-5-13-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine?
(3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine has a molecular weight of 222.31 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethylsulfonyl)-3-methylpiperazine is sourced from PubChem (CID 104976576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).