methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine

C9H23N3O7S2 — CID 174493599

IUPACmethanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine
SMILESCNC1CNCCC1=NOC.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C7H15N3O.2CH4O3S/c1-8-7-5-9-4-3-6(7)10-11-2;2*1-5(2,3)4/h7-9H,3-5H2,1-2H3;2*1H3,(H,2,3,4)
InChIKeyBFKZMKXURBABKF-UHFFFAOYSA-N
MW349.43 g/mol
LogP-1.42
Rot. Bonds2

About methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine

methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine (PubChem CID 174493599) has the molecular formula C9H23N3O7S2 and a molecular weight of 349.43 g/mol. Its IUPAC name is methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine.

Molecular Properties

Compound Namemethanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine
PubChem CID174493599
Molecular FormulaC9H23N3O7S2
Molecular Weight349.43 g/mol
Exact Mass349.10
IUPAC Namemethanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine
SMILESCNC1CNCCC1=NOC.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C7H15N3O.2CH4O3S/c1-8-7-5-9-4-3-6(7)10-11-2;2*1-5(2,3)4/h7-9H,3-5H2,1-2H3;2*1H3,(H,2,3,4)
InChIKeyBFKZMKXURBABKF-UHFFFAOYSA-N
XLogP-1.42
TPSA154.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide
CID 141356278
methanesulfonic acid;pentakis((4-methoxyiminopyrrolidin-3-yl)methanamine)
CID 173166840
(3E)-3-methoxyimino-N-methylpiperidin-4-amine
CID 71567168
methanesulfonic acid;piperidin-4-one
CID 155024087
N-methoxybicyclo[3.1.1]heptan-2-imine
CID 141284498
methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161675
methanesulfonic acid;4-methyliminopyrrolidine-3-carbonitrile
CID 90985885
3-methoxypiperidin-4-one
CID 53407785
methyl (3S)-4-oxopiperidine-3-carboxylate
CID 7005146
methyl 4-methylsulfonylpyrrolidine-3-carboxylate
CID 105460317
[(2S)-2-[[(4E)-4-methoxyiminopyrrolidin-3-yl]oxycarbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 90228681
4-(methoxymethylidene)piperidine
CID 19859122

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine?
The IUPAC name of methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine (CID 174493599) is methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine.
What is the SMILES notation for methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine?
The canonical SMILES for methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine is CNC1CNCCC1=NOC.CS(=O)(=O)O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine?
The InChIKey is BFKZMKXURBABKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.2CH4O3S/c1-8-7-5-9-4-3-6(7)10-11-2;2*1-5(2,3)4/h7-9H,3-5H2,1-2H3;2*1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine?
methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine has a molecular weight of 349.43 g/mol, XLogP of -1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine is sourced from PubChem (CID 174493599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).