3-ethylsulfonylpropan-1-amine;hydrochloride

C5H14ClNO2S — CID 23089204

IUPAC3-ethylsulfonylpropan-1-amine;hydrochloride
SMILESCCS(=O)(=O)CCCN.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-2-9(7,8)5-3-4-6;/h2-6H2,1H3;1H
InChIKeySAXUNNOECOFBER-UHFFFAOYSA-N
MW187.69 g/mol
LogP0.19
Rot. Bonds4

About 3-ethylsulfonylpropan-1-amine;hydrochloride

3-ethylsulfonylpropan-1-amine;hydrochloride (PubChem CID 23089204) has the molecular formula C5H14ClNO2S and a molecular weight of 187.69 g/mol. Its IUPAC name is 3-ethylsulfonylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethylsulfonylpropan-1-amine;hydrochloride
PubChem CID23089204
Molecular FormulaC5H14ClNO2S
Molecular Weight187.69 g/mol
Exact Mass187.04
IUPAC Name3-ethylsulfonylpropan-1-amine;hydrochloride
SMILESCCS(=O)(=O)CCCN.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-2-9(7,8)5-3-4-6;/h2-6H2,1H3;1H
InChIKeySAXUNNOECOFBER-UHFFFAOYSA-N
XLogP0.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-ethylsulfonylpropan-1-amine;hydrochloride?
The IUPAC name of 3-ethylsulfonylpropan-1-amine;hydrochloride (CID 23089204) is 3-ethylsulfonylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethylsulfonylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-ethylsulfonylpropan-1-amine;hydrochloride is CCS(=O)(=O)CCCN.Cl.
What is the InChIKey of 3-ethylsulfonylpropan-1-amine;hydrochloride?
The InChIKey is SAXUNNOECOFBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S.ClH/c1-2-9(7,8)5-3-4-6;/h2-6H2,1H3;1H.
What are the key properties of 3-ethylsulfonylpropan-1-amine;hydrochloride?
3-ethylsulfonylpropan-1-amine;hydrochloride has a molecular weight of 187.69 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonylpropan-1-amine;hydrochloride is sourced from PubChem (CID 23089204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).