2-aminopropane-1-sulfonyl fluoride;hydrochloride

C3H9ClFNO2S — CID 154814459

IUPAC2-aminopropane-1-sulfonyl fluoride;hydrochloride
SMILESCC(N)CS(=O)(=O)F.Cl
InChIInChI=1S/C3H8FNO2S.ClH/c1-3(5)2-8(4,6)7;/h3H,2,5H2,1H3;1H
InChIKeyUKDMQNQOTUQNCX-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.05
Rot. Bonds2

About 2-aminopropane-1-sulfonyl fluoride;hydrochloride

2-aminopropane-1-sulfonyl fluoride;hydrochloride (PubChem CID 154814459) has the molecular formula C3H9ClFNO2S and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-aminopropane-1-sulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name2-aminopropane-1-sulfonyl fluoride;hydrochloride
PubChem CID154814459
Molecular FormulaC3H9ClFNO2S
Molecular Weight177.63 g/mol
Exact Mass177.00
IUPAC Name2-aminopropane-1-sulfonyl fluoride;hydrochloride
SMILESCC(N)CS(=O)(=O)F.Cl
InChIInChI=1S/C3H8FNO2S.ClH/c1-3(5)2-8(4,6)7;/h3H,2,5H2,1H3;1H
InChIKeyUKDMQNQOTUQNCX-UHFFFAOYSA-N
XLogP0.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropane-1-sulfonyl fluoride;hydrochloride?
The IUPAC name of 2-aminopropane-1-sulfonyl fluoride;hydrochloride (CID 154814459) is 2-aminopropane-1-sulfonyl fluoride;hydrochloride.
What is the SMILES notation for 2-aminopropane-1-sulfonyl fluoride;hydrochloride?
The canonical SMILES for 2-aminopropane-1-sulfonyl fluoride;hydrochloride is CC(N)CS(=O)(=O)F.Cl.
What is the InChIKey of 2-aminopropane-1-sulfonyl fluoride;hydrochloride?
The InChIKey is UKDMQNQOTUQNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO2S.ClH/c1-3(5)2-8(4,6)7;/h3H,2,5H2,1H3;1H.
What are the key properties of 2-aminopropane-1-sulfonyl fluoride;hydrochloride?
2-aminopropane-1-sulfonyl fluoride;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropane-1-sulfonyl fluoride;hydrochloride is sourced from PubChem (CID 154814459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).