4-amino-2-methylpentane-1-sulfonic acid

C6H15NO3S — CID 89285888

IUPAC4-amino-2-methylpentane-1-sulfonic acid
SMILESCC(N)CC(C)CS(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-5(3-6(2)7)4-11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H,8,9,10)
InChIKeyFMQNQQVIFKVDSL-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.25
Rot. Bonds4

About 4-amino-2-methylpentane-1-sulfonic acid

4-amino-2-methylpentane-1-sulfonic acid (PubChem CID 89285888) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-amino-2-methylpentane-1-sulfonic acid.

Molecular Properties

Compound Name4-amino-2-methylpentane-1-sulfonic acid
PubChem CID89285888
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name4-amino-2-methylpentane-1-sulfonic acid
SMILESCC(N)CC(C)CS(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-5(3-6(2)7)4-11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H,8,9,10)
InChIKeyFMQNQQVIFKVDSL-UHFFFAOYSA-N
XLogP0.25
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.25
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

3-bromo-2-methylpropane-1-sulfonic acid
CID 173458122
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
methanamine;2-methylpropane-1-sulfonic acid
CID 172748561
2-methylbutane-1,4-disulfonic acid
CID 23460781
2-amino-3-hydroxybutane-1-sulfonic acid
CID 15294686
sodium 2-methyl-3-sulfopropan-1-olate
CID 141285329
(2S)-3-acetyloxy-2-methylpropane-1-sulfonic acid
CID 10241774
3-methoxy-2-methylpropane-1-sulfonic acid
CID 118939015
4,6-dimethylnonane-2,8-diamine
CID 59264321
2-amino-4-hydroxy-3-methylbutane-1-sulfonic acid
CID 88674766
(2S)-2-methylpentadecane-1-sulfonic acid
CID 121405460
(2S)-2-methyl-3-methylsulfonyloxypropane-1-sulfonic acid
CID 89117976

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylpentane-1-sulfonic acid?
The IUPAC name of 4-amino-2-methylpentane-1-sulfonic acid (CID 89285888) is 4-amino-2-methylpentane-1-sulfonic acid.
What is the SMILES notation for 4-amino-2-methylpentane-1-sulfonic acid?
The canonical SMILES for 4-amino-2-methylpentane-1-sulfonic acid is CC(N)CC(C)CS(=O)(=O)O.
What is the InChIKey of 4-amino-2-methylpentane-1-sulfonic acid?
The InChIKey is FMQNQQVIFKVDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-5(3-6(2)7)4-11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H,8,9,10).
What are the key properties of 4-amino-2-methylpentane-1-sulfonic acid?
4-amino-2-methylpentane-1-sulfonic acid has a molecular weight of 181.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylpentane-1-sulfonic acid is sourced from PubChem (CID 89285888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).