3-amino-2-methylbutane-2-sulfonic acid

C5H13NO3S — CID 22667462

IUPAC3-amino-2-methylbutane-2-sulfonic acid
SMILESCC(N)C(C)(C)S(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-4(6)5(2,3)10(7,8)9/h4H,6H2,1-3H3,(H,7,8,9)
InChIKeySRQPEFNQCTZGKM-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.00
Rot. Bonds2

About 3-amino-2-methylbutane-2-sulfonic acid

3-amino-2-methylbutane-2-sulfonic acid (PubChem CID 22667462) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-amino-2-methylbutane-2-sulfonic acid.

Molecular Properties

Compound Name3-amino-2-methylbutane-2-sulfonic acid
PubChem CID22667462
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name3-amino-2-methylbutane-2-sulfonic acid
SMILESCC(N)C(C)(C)S(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-4(6)5(2,3)10(7,8)9/h4H,6H2,1-3H3,(H,7,8,9)
InChIKeySRQPEFNQCTZGKM-UHFFFAOYSA-N
XLogP0.00
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-Amino-1-propanesulfonic acid
CID 110955
2-Amino-1-butanesulfonic acid
CID 222929
2-Propanesulfonic acid, 1-amino-2-methyl-
CID 19390372
1,2-Dimethyl taurine
CID 15700882
Dimethyl-3-ammoniopropanesulfonate
CID 18424890
(s)-2-Aminobutanesulfonic acid
CID 92161237
1-Butanesulfonic acid, 2-amino-, (R)-
CID 91712267
(2S)-2-aminopropane-1-sulfonic acid
CID 2734268
2-Amino-3-methylbutane-1-sulfonic acid
CID 11095008
(2R)-2-aminopropane-1-sulfonic acid
CID 14427200
(2S)-2-amino-3-methylbutane-1-sulfonic acid
CID 14427201
(2R)-2-amino-3-methylbutane-1-sulfonic acid
CID 14427202

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylbutane-2-sulfonic acid?
The IUPAC name of 3-amino-2-methylbutane-2-sulfonic acid (CID 22667462) is 3-amino-2-methylbutane-2-sulfonic acid.
What is the SMILES notation for 3-amino-2-methylbutane-2-sulfonic acid?
The canonical SMILES for 3-amino-2-methylbutane-2-sulfonic acid is CC(N)C(C)(C)S(=O)(=O)O.
What is the InChIKey of 3-amino-2-methylbutane-2-sulfonic acid?
The InChIKey is SRQPEFNQCTZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-4(6)5(2,3)10(7,8)9/h4H,6H2,1-3H3,(H,7,8,9).
What are the key properties of 3-amino-2-methylbutane-2-sulfonic acid?
3-amino-2-methylbutane-2-sulfonic acid has a molecular weight of 167.23 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylbutane-2-sulfonic acid is sourced from PubChem (CID 22667462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).