2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride

C4H11ClFNO2S — CID 170913747

IUPAC2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride
SMILESCC(C)(N)CS(=O)(=O)F.Cl
InChIInChI=1S/C4H10FNO2S.ClH/c1-4(2,6)3-9(5,7)8;/h3,6H2,1-2H3;1H
InChIKeyVOTWDOSUDNCBCV-UHFFFAOYSA-N
MW191.65 g/mol
LogP0.44
Rot. Bonds2

About 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride

2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride (PubChem CID 170913747) has the molecular formula C4H11ClFNO2S and a molecular weight of 191.65 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride
PubChem CID170913747
Molecular FormulaC4H11ClFNO2S
Molecular Weight191.65 g/mol
Exact Mass191.02
IUPAC Name2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride
SMILESCC(C)(N)CS(=O)(=O)F.Cl
InChIInChI=1S/C4H10FNO2S.ClH/c1-4(2,6)3-9(5,7)8;/h3,6H2,1-2H3;1H
InChIKeyVOTWDOSUDNCBCV-UHFFFAOYSA-N
XLogP0.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.65
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride?
The IUPAC name of 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride (CID 170913747) is 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride.
What is the SMILES notation for 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride?
The canonical SMILES for 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride is CC(C)(N)CS(=O)(=O)F.Cl.
What is the InChIKey of 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride?
The InChIKey is VOTWDOSUDNCBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S.ClH/c1-4(2,6)3-9(5,7)8;/h3,6H2,1-2H3;1H.
What are the key properties of 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride?
2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride has a molecular weight of 191.65 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1-sulfonyl fluoride;hydrochloride is sourced from PubChem (CID 170913747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).