2-(ethylamino)-N-hydroxyethanesulfonamide

C4H12N2O3S — CID 138681118

IUPAC2-(ethylamino)-N-hydroxyethanesulfonamide
SMILESCCNCCS(=O)(=O)NO
InChIInChI=1S/C4H12N2O3S/c1-2-5-3-4-10(8,9)6-7/h5-7H,2-4H2,1H3
InChIKeyWIWFOWWYXLILHV-UHFFFAOYSA-N
MW168.22 g/mol
LogP-1.10
Rot. Bonds5

About 2-(ethylamino)-N-hydroxyethanesulfonamide

2-(ethylamino)-N-hydroxyethanesulfonamide (PubChem CID 138681118) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-(ethylamino)-N-hydroxyethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-hydroxyethanesulfonamide
PubChem CID138681118
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name2-(ethylamino)-N-hydroxyethanesulfonamide
SMILESCCNCCS(=O)(=O)NO
InChIInChI=1S/C4H12N2O3S/c1-2-5-3-4-10(8,9)6-7/h5-7H,2-4H2,1H3
InChIKeyWIWFOWWYXLILHV-UHFFFAOYSA-N
XLogP-1.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(ethylamino)ethylsulfonylamino]acetic acid
CID 87616397
N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
CID 115407704
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide
CID 106330262
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117
N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
CID 114418198
N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide
CID 106013598
N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54973910
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
CID 106402426
N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54972142
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-hydroxyethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-hydroxyethanesulfonamide (CID 138681118) is 2-(ethylamino)-N-hydroxyethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-hydroxyethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-hydroxyethanesulfonamide is CCNCCS(=O)(=O)NO.
What is the InChIKey of 2-(ethylamino)-N-hydroxyethanesulfonamide?
The InChIKey is WIWFOWWYXLILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-2-5-3-4-10(8,9)6-7/h5-7H,2-4H2,1H3.
What are the key properties of 2-(ethylamino)-N-hydroxyethanesulfonamide?
2-(ethylamino)-N-hydroxyethanesulfonamide has a molecular weight of 168.22 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-hydroxyethanesulfonamide is sourced from PubChem (CID 138681118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).