2-ethylsulfonyl-N-methylethanamine;hydrochloride

C5H14ClNO2S — CID 53433680

IUPAC2-ethylsulfonyl-N-methylethanamine;hydrochloride
SMILESCCS(=O)(=O)CCNC.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-3-9(7,8)5-4-6-2;/h6H,3-5H2,1-2H3;1H
InChIKeyDEYJONNLBBVQND-UHFFFAOYSA-N
MW187.69 g/mol
LogP0.06
Rot. Bonds4

About 2-ethylsulfonyl-N-methylethanamine;hydrochloride

2-ethylsulfonyl-N-methylethanamine;hydrochloride (PubChem CID 53433680) has the molecular formula C5H14ClNO2S and a molecular weight of 187.69 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfonyl-N-methylethanamine;hydrochloride
PubChem CID53433680
Molecular FormulaC5H14ClNO2S
Molecular Weight187.69 g/mol
Exact Mass187.04
IUPAC Name2-ethylsulfonyl-N-methylethanamine;hydrochloride
SMILESCCS(=O)(=O)CCNC.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-3-9(7,8)5-4-6-2;/h6H,3-5H2,1-2H3;1H
InChIKeyDEYJONNLBBVQND-UHFFFAOYSA-N
XLogP0.06
TPSA46.17 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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-methylethanamine;hydrochloride?
The IUPAC name of 2-ethylsulfonyl-N-methylethanamine;hydrochloride (CID 53433680) is 2-ethylsulfonyl-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-ethylsulfonyl-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-ethylsulfonyl-N-methylethanamine;hydrochloride is CCS(=O)(=O)CCNC.Cl.
What is the InChIKey of 2-ethylsulfonyl-N-methylethanamine;hydrochloride?
The InChIKey is DEYJONNLBBVQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S.ClH/c1-3-9(7,8)5-4-6-2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of 2-ethylsulfonyl-N-methylethanamine;hydrochloride?
2-ethylsulfonyl-N-methylethanamine;hydrochloride has a molecular weight of 187.69 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-methylethanamine;hydrochloride is sourced from PubChem (CID 53433680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).