2-amino-2-propylpentane-1-sulfonic acid

C8H19NO3S — CID 91619632

IUPAC2-amino-2-propylpentane-1-sulfonic acid
SMILESCCCC(N)(CCC)CS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-3-5-8(9,6-4-2)7-13(10,11)12/h3-7,9H2,1-2H3,(H,10,11,12)
InChIKeyQDGKFHFUMQGVHK-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.17
Rot. Bonds6

About 2-amino-2-propylpentane-1-sulfonic acid

2-amino-2-propylpentane-1-sulfonic acid (PubChem CID 91619632) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-amino-2-propylpentane-1-sulfonic acid.

Molecular Properties

Compound Name2-amino-2-propylpentane-1-sulfonic acid
PubChem CID91619632
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-amino-2-propylpentane-1-sulfonic acid
SMILESCCCC(N)(CCC)CS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-3-5-8(9,6-4-2)7-13(10,11)12/h3-7,9H2,1-2H3,(H,10,11,12)
InChIKeyQDGKFHFUMQGVHK-UHFFFAOYSA-N
XLogP1.17
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.17
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-methylpentan-2-amine;sulfuric acid
CID 174200327
azane;3-ethylhexan-3-amine
CID 18676269
3-amino-2,2-dimethylhexane-3-sulfonic acid
CID 141155845
2-amino-2-(hydroxymethyl)propane-1,3-diol;propane-1-sulfonic acid
CID 20545768
8-heptylpentadecan-8-amine;sulfuric acid
CID 173205041
13-dodecylpentacosan-13-amine;sulfuric acid
CID 173210525
2,2-diamino-2-sulfanylethanesulfonic acid
CID 174638560
3-amino-3-propylhexanoic acid
CID 64665150
ethane-1,1,1,2-tetrasulfonic acid
CID 22184362
4-amino-2,2-dimethylbutane-1-sulfonic acid
CID 155264167
(E)-but-2-enedioic acid;4-propylheptan-4-amine
CID 162334092
butane;ethanesulfonic acid;propane
CID 174496199

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-propylpentane-1-sulfonic acid?
The IUPAC name of 2-amino-2-propylpentane-1-sulfonic acid (CID 91619632) is 2-amino-2-propylpentane-1-sulfonic acid.
What is the SMILES notation for 2-amino-2-propylpentane-1-sulfonic acid?
The canonical SMILES for 2-amino-2-propylpentane-1-sulfonic acid is CCCC(N)(CCC)CS(=O)(=O)O.
What is the InChIKey of 2-amino-2-propylpentane-1-sulfonic acid?
The InChIKey is QDGKFHFUMQGVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-5-8(9,6-4-2)7-13(10,11)12/h3-7,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-amino-2-propylpentane-1-sulfonic acid?
2-amino-2-propylpentane-1-sulfonic acid has a molecular weight of 209.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-propylpentane-1-sulfonic acid is sourced from PubChem (CID 91619632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).