2-(2-ethenylsulfonylethylamino)ethanol

C6H13NO3S — CID 170994320

IUPAC2-(2-ethenylsulfonylethylamino)ethanol
SMILESC=CS(=O)(=O)CCNCCO
InChIInChI=1S/C6H13NO3S/c1-2-11(9,10)6-4-7-3-5-8/h2,7-8H,1,3-6H2
InChIKeyVJMFVMKVPWVZAN-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.87
Rot. Bonds6

About 2-(2-ethenylsulfonylethylamino)ethanol

2-(2-ethenylsulfonylethylamino)ethanol (PubChem CID 170994320) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(2-ethenylsulfonylethylamino)ethanol.

Molecular Properties

Compound Name2-(2-ethenylsulfonylethylamino)ethanol
PubChem CID170994320
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-(2-ethenylsulfonylethylamino)ethanol
SMILESC=CS(=O)(=O)CCNCCO
InChIInChI=1S/C6H13NO3S/c1-2-11(9,10)6-4-7-3-5-8/h2,7-8H,1,3-6H2
InChIKeyVJMFVMKVPWVZAN-UHFFFAOYSA-N
XLogP-0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
5-(2-hydroxyethylamino)pentane-1-sulfonic acid
CID 20545792
2-(2-ethenylsulfonylethoxy)ethanol
CID 118674332
1,5-bis(ethenylsulfonyl)pentan-3-one
CID 14512333
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
CID 158071262
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-(2-hydroxyethylamino)ethanol;sulfur dioxide
CID 6454530
5-carbamoyl-2-[2-(2-ethenylsulfonylethylamino)ethylamino]benzenesulfonic acid
CID 54237216
2-(but-3-enylamino)ethanesulfonic acid
CID 87607348
2-(2-hydroxyethylamino)ethanol;2-prop-2-enylbenzenesulfonic acid
CID 175295342
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
2-[(2-hydroxyethylamino)methylamino]ethanol
CID 13307728

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylsulfonylethylamino)ethanol?
The IUPAC name of 2-(2-ethenylsulfonylethylamino)ethanol (CID 170994320) is 2-(2-ethenylsulfonylethylamino)ethanol.
What is the SMILES notation for 2-(2-ethenylsulfonylethylamino)ethanol?
The canonical SMILES for 2-(2-ethenylsulfonylethylamino)ethanol is C=CS(=O)(=O)CCNCCO.
What is the InChIKey of 2-(2-ethenylsulfonylethylamino)ethanol?
The InChIKey is VJMFVMKVPWVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-11(9,10)6-4-7-3-5-8/h2,7-8H,1,3-6H2.
What are the key properties of 2-(2-ethenylsulfonylethylamino)ethanol?
2-(2-ethenylsulfonylethylamino)ethanol has a molecular weight of 179.24 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylsulfonylethylamino)ethanol is sourced from PubChem (CID 170994320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).