(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine

C9H20N2O3S — CID 104975175

IUPAC(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
SMILESCCOCCS(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C9H20N2O3S/c1-3-14-6-7-15(12,13)11-5-4-10-9(2)8-11/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyJWHULQUFBBIUDH-SECBINFHSA-N
MW236.34 g/mol
LogP-0.35
Rot. Bonds5

About (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine

(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine (PubChem CID 104975175) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
PubChem CID104975175
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
SMILESCCOCCS(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C9H20N2O3S/c1-3-14-6-7-15(12,13)11-5-4-10-9(2)8-11/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyJWHULQUFBBIUDH-SECBINFHSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594491
(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
CID 104975178
4-bromo-1-(2-ethoxyethylsulfonyl)-3-methylpiperidine
CID 114683697
1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300302
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
3-bromo-1-(2-ethoxyethylsulfonyl)piperidine
CID 80677126
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585422
1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080
1-[(E)-but-2-enyl]sulfonyl-3-methylpiperazine
CID 131240629
1-(2-ethoxyethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 119969815
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine (CID 104975175) is (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine is CCOCCS(=O)(=O)N1CCN[C@H](C)C1.
What is the InChIKey of (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine?
The InChIKey is JWHULQUFBBIUDH-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-14-6-7-15(12,13)11-5-4-10-9(2)8-11/h9-10H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine?
(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine has a molecular weight of 236.34 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine is sourced from PubChem (CID 104975175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).