4-amino-2-methylbutane-2-sulfinate;hydrochloride

C5H13ClNO2S- — CID 146503957

IUPAC4-amino-2-methylbutane-2-sulfinate;hydrochloride
SMILESCC(C)(CCN)S(=O)[O-].Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-5(2,3-4-6)9(7)8;/h3-4,6H2,1-2H3,(H,7,8);1H/p-1
InChIKeyZJOKEZOOEDBFSJ-UHFFFAOYSA-M
MW186.68 g/mol
LogP0.41
Rot. Bonds3

About 4-amino-2-methylbutane-2-sulfinate;hydrochloride

4-amino-2-methylbutane-2-sulfinate;hydrochloride (PubChem CID 146503957) has the molecular formula C5H13ClNO2S- and a molecular weight of 186.68 g/mol. Its IUPAC name is 4-amino-2-methylbutane-2-sulfinate;hydrochloride.

Molecular Properties

Compound Name4-amino-2-methylbutane-2-sulfinate;hydrochloride
PubChem CID146503957
Molecular FormulaC5H13ClNO2S-
Molecular Weight186.68 g/mol
Exact Mass186.04
IUPAC Name4-amino-2-methylbutane-2-sulfinate;hydrochloride
SMILESCC(C)(CCN)S(=O)[O-].Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-5(2,3-4-6)9(7)8;/h3-4,6H2,1-2H3,(H,7,8);1H/p-1
InChIKeyZJOKEZOOEDBFSJ-UHFFFAOYSA-M
XLogP0.41
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 131872100
1,1-diaminoethanesulfinate
CID 90404877
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CID 175548955
3,3-dimethylbutan-1-amine;hydroiodide
CID 173144991
3,3-dimethylbutan-1-amine;hydrobromide
CID 173119170
4-amino-2,2-dimethylbutanamide
CID 23366310
1,4-diamino-2-methylbutan-2-ol;dihydrochloride
CID 88739570
4-amino-2,2-dimethylbutanal
CID 54099515
1,5-diamino-3-methylpentan-3-ol
CID 55289745
(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
CID 118419337
ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane
CID 158545182
N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride
CID 174891274

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylbutane-2-sulfinate;hydrochloride?
The IUPAC name of 4-amino-2-methylbutane-2-sulfinate;hydrochloride (CID 146503957) is 4-amino-2-methylbutane-2-sulfinate;hydrochloride.
What is the SMILES notation for 4-amino-2-methylbutane-2-sulfinate;hydrochloride?
The canonical SMILES for 4-amino-2-methylbutane-2-sulfinate;hydrochloride is CC(C)(CCN)S(=O)[O-].Cl.
What is the InChIKey of 4-amino-2-methylbutane-2-sulfinate;hydrochloride?
The InChIKey is ZJOKEZOOEDBFSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO2S.ClH/c1-5(2,3-4-6)9(7)8;/h3-4,6H2,1-2H3,(H,7,8);1H/p-1.
What are the key properties of 4-amino-2-methylbutane-2-sulfinate;hydrochloride?
4-amino-2-methylbutane-2-sulfinate;hydrochloride has a molecular weight of 186.68 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylbutane-2-sulfinate;hydrochloride is sourced from PubChem (CID 146503957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).