azane;2-methyl-1-methylsulfonylpropane;hydrochloride

C5H16ClNO2S — CID 87536413

IUPACazane;2-methyl-1-methylsulfonylpropane;hydrochloride
SMILESCC(C)CS(C)(=O)=O.Cl.N
InChIInChI=1S/C5H12O2S.ClH.H3N/c1-5(2)4-8(3,6)7;;/h5H,4H2,1-3H3;1H;1H3
InChIKeyDUBXACIQXHGKGX-UHFFFAOYSA-N
MW189.71 g/mol
LogP1.27
Rot. Bonds2

About azane;2-methyl-1-methylsulfonylpropane;hydrochloride

azane;2-methyl-1-methylsulfonylpropane;hydrochloride (PubChem CID 87536413) has the molecular formula C5H16ClNO2S and a molecular weight of 189.71 g/mol. Its IUPAC name is azane;2-methyl-1-methylsulfonylpropane;hydrochloride.

Molecular Properties

Compound Nameazane;2-methyl-1-methylsulfonylpropane;hydrochloride
PubChem CID87536413
Molecular FormulaC5H16ClNO2S
Molecular Weight189.71 g/mol
Exact Mass189.06
IUPAC Nameazane;2-methyl-1-methylsulfonylpropane;hydrochloride
SMILESCC(C)CS(C)(=O)=O.Cl.N
InChIInChI=1S/C5H12O2S.ClH.H3N/c1-5(2)4-8(3,6)7;;/h5H,4H2,1-3H3;1H;1H3
InChIKeyDUBXACIQXHGKGX-UHFFFAOYSA-N
XLogP1.27
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-1-methylsulfonylpropane;hydrochloride?
The IUPAC name of azane;2-methyl-1-methylsulfonylpropane;hydrochloride (CID 87536413) is azane;2-methyl-1-methylsulfonylpropane;hydrochloride.
What is the SMILES notation for azane;2-methyl-1-methylsulfonylpropane;hydrochloride?
The canonical SMILES for azane;2-methyl-1-methylsulfonylpropane;hydrochloride is CC(C)CS(C)(=O)=O.Cl.N.
What is the InChIKey of azane;2-methyl-1-methylsulfonylpropane;hydrochloride?
The InChIKey is DUBXACIQXHGKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S.ClH.H3N/c1-5(2)4-8(3,6)7;;/h5H,4H2,1-3H3;1H;1H3.
What are the key properties of azane;2-methyl-1-methylsulfonylpropane;hydrochloride?
azane;2-methyl-1-methylsulfonylpropane;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-1-methylsulfonylpropane;hydrochloride is sourced from PubChem (CID 87536413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).