2-(2-aminoethoxy)ethanesulfonamide

C4H12N2O3S — CID 100749156

IUPAC2-(2-aminoethoxy)ethanesulfonamide
SMILESNCCOCCS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c5-1-2-9-3-4-10(6,7)8/h1-5H2,(H2,6,7,8)
InChIKeyKXVZDKHSEGXHHN-UHFFFAOYSA-N
MW168.22 g/mol
LogP-1.75
Rot. Bonds5

About 2-(2-aminoethoxy)ethanesulfonamide

2-(2-aminoethoxy)ethanesulfonamide (PubChem CID 100749156) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanesulfonamide
PubChem CID100749156
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name2-(2-aminoethoxy)ethanesulfonamide
SMILESNCCOCCS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c5-1-2-9-3-4-10(6,7)8/h1-5H2,(H2,6,7,8)
InChIKeyKXVZDKHSEGXHHN-UHFFFAOYSA-N
XLogP-1.75
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.75
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanesulfonamide?
The IUPAC name of 2-(2-aminoethoxy)ethanesulfonamide (CID 100749156) is 2-(2-aminoethoxy)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminoethoxy)ethanesulfonamide?
The canonical SMILES for 2-(2-aminoethoxy)ethanesulfonamide is NCCOCCS(N)(=O)=O.
What is the InChIKey of 2-(2-aminoethoxy)ethanesulfonamide?
The InChIKey is KXVZDKHSEGXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c5-1-2-9-3-4-10(6,7)8/h1-5H2,(H2,6,7,8).
What are the key properties of 2-(2-aminoethoxy)ethanesulfonamide?
2-(2-aminoethoxy)ethanesulfonamide has a molecular weight of 168.22 g/mol, XLogP of -1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanesulfonamide is sourced from PubChem (CID 100749156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).