(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide

C8H19N3O3S — CID 104978727

IUPAC(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C8H19N3O3S/c1-8-7-11(5-3-9-8)15(12,13)10-4-6-14-2/h8-10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyJPUDGQMZWLHZHA-MRVPVSSYSA-N
MW237.32 g/mol
LogP-1.24
Rot. Bonds5

About (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide

(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide (PubChem CID 104978727) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
PubChem CID104978727
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C8H19N3O3S/c1-8-7-11(5-3-9-8)15(12,13)10-4-6-14-2/h8-10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyJPUDGQMZWLHZHA-MRVPVSSYSA-N
XLogP-1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 104978203
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
CID 103576440
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114816244
N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 114810914
3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 114810913
(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 104978207
3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815332
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide (CID 104978727) is (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide is COCCNS(=O)(=O)N1CCN[C@H](C)C1.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide?
The InChIKey is JPUDGQMZWLHZHA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-8-7-11(5-3-9-8)15(12,13)10-4-6-14-2/h8-10H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide?
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 104978727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).