1-methyl-2-(sulfinatoamino)piperazine;hydrochloride

C5H13ClN3O2S- — CID 174552263

IUPAC1-methyl-2-(sulfinatoamino)piperazine;hydrochloride
SMILESCN1CCNCC1NS(=O)[O-].Cl
InChIInChI=1S/C5H13N3O2S.ClH/c1-8-3-2-6-4-5(8)7-11(9)10;/h5-7H,2-4H2,1H3,(H,9,10);1H/p-1
InChIKeyDNQUGUDGDGQTOE-UHFFFAOYSA-M
MW214.70 g/mol
LogP-1.35
Rot. Bonds2

About 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride

1-methyl-2-(sulfinatoamino)piperazine;hydrochloride (PubChem CID 174552263) has the molecular formula C5H13ClN3O2S- and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-(sulfinatoamino)piperazine;hydrochloride
PubChem CID174552263
Molecular FormulaC5H13ClN3O2S-
Molecular Weight214.70 g/mol
Exact Mass214.04
IUPAC Name1-methyl-2-(sulfinatoamino)piperazine;hydrochloride
SMILESCN1CCNCC1NS(=O)[O-].Cl
InChIInChI=1S/C5H13N3O2S.ClH/c1-8-3-2-6-4-5(8)7-11(9)10;/h5-7H,2-4H2,1H3,(H,9,10);1H/p-1
InChIKeyDNQUGUDGDGQTOE-UHFFFAOYSA-M
XLogP-1.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-methylpiperazine-2-carbaldehyde;hydrochloride
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1-methylpiperazine-2-carboxylic acid;hydrochloride
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1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
1,2-dimethylpiperazine;hydrate
CID 173257182
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
(2R)-2-methoxy-1-methylpiperazine
CID 174835228
2-(methoxymethyl)-1-methylpiperazine;hydrochloride
CID 178190513
N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride
CID 167741784

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride?
The IUPAC name of 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride (CID 174552263) is 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride?
The canonical SMILES for 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride is CN1CCNCC1NS(=O)[O-].Cl.
What is the InChIKey of 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride?
The InChIKey is DNQUGUDGDGQTOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13N3O2S.ClH/c1-8-3-2-6-4-5(8)7-11(9)10;/h5-7H,2-4H2,1H3,(H,9,10);1H/p-1.
What are the key properties of 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride?
1-methyl-2-(sulfinatoamino)piperazine;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(sulfinatoamino)piperazine;hydrochloride is sourced from PubChem (CID 174552263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).