2-(2-oxopropylamino)ethanesulfonamide

C5H12N2O3S — CID 157109351

IUPAC2-(2-oxopropylamino)ethanesulfonamide
SMILESCC(=O)CNCCS(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-5(8)4-7-2-3-11(6,9)10/h7H,2-4H2,1H3,(H2,6,9,10)
InChIKeyXMESDLBPQBSVFH-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.55
Rot. Bonds5

About 2-(2-oxopropylamino)ethanesulfonamide

2-(2-oxopropylamino)ethanesulfonamide (PubChem CID 157109351) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-(2-oxopropylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-oxopropylamino)ethanesulfonamide
PubChem CID157109351
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-(2-oxopropylamino)ethanesulfonamide
SMILESCC(=O)CNCCS(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-5(8)4-7-2-3-11(6,9)10/h7H,2-4H2,1H3,(H2,6,9,10)
InChIKeyXMESDLBPQBSVFH-UHFFFAOYSA-N
XLogP-1.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.55
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

3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
2-(2-methoxyethylamino)-N-(2-sulfamoylethyl)acetamide
CID 79281474
3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane
CID 162172859
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
2-(2,2-dimethylpropylamino)ethanesulfonamide
CID 61326165
2-(pentylamino)ethanesulfonamide
CID 43551719
2-(2-methylsulfinylethylamino)ethanesulfonamide
CID 114385199
4-methyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385390
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
CID 116674896
bis[2-(2-oxopropylamino)ethyl] (E)-but-2-enedioate
CID 175015643
2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropylamino)ethanesulfonamide?
The IUPAC name of 2-(2-oxopropylamino)ethanesulfonamide (CID 157109351) is 2-(2-oxopropylamino)ethanesulfonamide.
What is the SMILES notation for 2-(2-oxopropylamino)ethanesulfonamide?
The canonical SMILES for 2-(2-oxopropylamino)ethanesulfonamide is CC(=O)CNCCS(N)(=O)=O.
What is the InChIKey of 2-(2-oxopropylamino)ethanesulfonamide?
The InChIKey is XMESDLBPQBSVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-5(8)4-7-2-3-11(6,9)10/h7H,2-4H2,1H3,(H2,6,9,10).
What are the key properties of 2-(2-oxopropylamino)ethanesulfonamide?
2-(2-oxopropylamino)ethanesulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropylamino)ethanesulfonamide is sourced from PubChem (CID 157109351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).