1-ethylsulfonylpropan-2-amine;hydrochloride

C5H14ClNO2S — CID 54593157

IUPAC1-ethylsulfonylpropan-2-amine;hydrochloride
SMILESCCS(=O)(=O)CC(C)N.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-3-9(7,8)4-5(2)6;/h5H,3-4,6H2,1-2H3;1H
InChIKeyMGVGIPQKHLQWDR-UHFFFAOYSA-N
MW187.69 g/mol
LogP0.19
Rot. Bonds3

About 1-ethylsulfonylpropan-2-amine;hydrochloride

1-ethylsulfonylpropan-2-amine;hydrochloride (PubChem CID 54593157) has the molecular formula C5H14ClNO2S and a molecular weight of 187.69 g/mol. Its IUPAC name is 1-ethylsulfonylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-ethylsulfonylpropan-2-amine;hydrochloride
PubChem CID54593157
Molecular FormulaC5H14ClNO2S
Molecular Weight187.69 g/mol
Exact Mass187.04
IUPAC Name1-ethylsulfonylpropan-2-amine;hydrochloride
SMILESCCS(=O)(=O)CC(C)N.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-3-9(7,8)4-5(2)6;/h5H,3-4,6H2,1-2H3;1H
InChIKeyMGVGIPQKHLQWDR-UHFFFAOYSA-N
XLogP0.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpropan-2-amine;hydrochloride?
The IUPAC name of 1-ethylsulfonylpropan-2-amine;hydrochloride (CID 54593157) is 1-ethylsulfonylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-ethylsulfonylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-ethylsulfonylpropan-2-amine;hydrochloride is CCS(=O)(=O)CC(C)N.Cl.
What is the InChIKey of 1-ethylsulfonylpropan-2-amine;hydrochloride?
The InChIKey is MGVGIPQKHLQWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S.ClH/c1-3-9(7,8)4-5(2)6;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of 1-ethylsulfonylpropan-2-amine;hydrochloride?
1-ethylsulfonylpropan-2-amine;hydrochloride has a molecular weight of 187.69 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpropan-2-amine;hydrochloride is sourced from PubChem (CID 54593157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).