(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine

C8H18N2O2S — CID 131076534

IUPAC(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine
SMILESCCS(=O)(=O)N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C8H18N2O2S/c1-4-13(11,12)10-5-7(2)9-8(3)6-10/h7-9H,4-6H2,1-3H3/t7-,8+
InChIKeyVPRHHDTZCBOXSP-OCAPTIKFSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds2

About (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine

(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine (PubChem CID 131076534) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine.

Molecular Properties

Compound Name(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine
PubChem CID131076534
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine
SMILESCCS(=O)(=O)N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C8H18N2O2S/c1-4-13(11,12)10-5-7(2)9-8(3)6-10/h7-9H,4-6H2,1-3H3/t7-,8+
InChIKeyVPRHHDTZCBOXSP-OCAPTIKFSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride
CID 119980573
3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594489
4-ethylsulfonyl-1,2,6-trimethylpiperazine
CID 110662378
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
CID 63872906
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583
(3S)-3,5-dimethylpiperazine-1-carboxylic acid
CID 175425054
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
(5S)-3-ethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 163809174
1-ethylsulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 63719633
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine
CID 63873088
1-ethylsulfonyl-2,5-dimethylpiperazine
CID 64980469

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine?
The IUPAC name of (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine (CID 131076534) is (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine.
What is the SMILES notation for (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine?
The canonical SMILES for (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine is CCS(=O)(=O)N1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine?
The InChIKey is VPRHHDTZCBOXSP-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-4-13(11,12)10-5-7(2)9-8(3)6-10/h7-9H,4-6H2,1-3H3/t7-,8+.
What are the key properties of (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine?
(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine is sourced from PubChem (CID 131076534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).