2-aminohexane-1-sulfinic acid

C6H15NO2S — CID 175539122

IUPAC2-aminohexane-1-sulfinic acid
SMILESCCCCC(N)CS(=O)O
InChIInChI=1S/C6H15NO2S/c1-2-3-4-6(7)5-10(8)9/h6H,2-5,7H2,1H3,(H,8,9)
InChIKeyABBRYTJEWNNKQZ-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.73
Rot. Bonds5

About 2-aminohexane-1-sulfinic acid

2-aminohexane-1-sulfinic acid (PubChem CID 175539122) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-aminohexane-1-sulfinic acid.

Molecular Properties

Compound Name2-aminohexane-1-sulfinic acid
PubChem CID175539122
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-aminohexane-1-sulfinic acid
SMILESCCCCC(N)CS(=O)O
InChIInChI=1S/C6H15NO2S/c1-2-3-4-6(7)5-10(8)9/h6H,2-5,7H2,1H3,(H,8,9)
InChIKeyABBRYTJEWNNKQZ-UHFFFAOYSA-N
XLogP0.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-aminoheptane-1-sulfinic acid
CID 143275379
2-(sulfinomethyl)hexanoic acid
CID 174372022
icosane-5,10,16-triamine
CID 88870264
4-methyloctane-1-sulfinic acid
CID 174406360
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
pentadecane-1-sulfinic acid
CID 20739365
S-methyl (3S)-3-aminoheptanethioate
CID 134572409
7-aminoundecanoic acid
CID 87457372
[(2R)-2-aminohexyl] acetate
CID 15691424
pentacosan-13-amine;sulfuric acid
CID 135341364
(5R,7S)-7-aminoundecan-5-ol
CID 13234597

Frequently Asked Questions

What is the IUPAC name of 2-aminohexane-1-sulfinic acid?
The IUPAC name of 2-aminohexane-1-sulfinic acid (CID 175539122) is 2-aminohexane-1-sulfinic acid.
What is the SMILES notation for 2-aminohexane-1-sulfinic acid?
The canonical SMILES for 2-aminohexane-1-sulfinic acid is CCCCC(N)CS(=O)O.
What is the InChIKey of 2-aminohexane-1-sulfinic acid?
The InChIKey is ABBRYTJEWNNKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-2-3-4-6(7)5-10(8)9/h6H,2-5,7H2,1H3,(H,8,9).
What are the key properties of 2-aminohexane-1-sulfinic acid?
2-aminohexane-1-sulfinic acid has a molecular weight of 165.26 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohexane-1-sulfinic acid is sourced from PubChem (CID 175539122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).