2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide

C8H13N5O4S — CID 106241017

IUPAC2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
SMILESNC(=O)COCCNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H13N5O4S/c9-7(14)5-17-2-1-13-18(15,16)6-3-11-8(10)12-4-6/h3-4,13H,1-2,5H2,(H2,9,14)(H2,10,11,12)
InChIKeyCBPWGTYBPDWFDC-UHFFFAOYSA-N
MW275.29 g/mol
LogP-2.16
Rot. Bonds7

About 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide

2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide (PubChem CID 106241017) has the molecular formula C8H13N5O4S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
PubChem CID106241017
Molecular FormulaC8H13N5O4S
Molecular Weight275.29 g/mol
Exact Mass275.07
IUPAC Name2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
SMILESNC(=O)COCCNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H13N5O4S/c9-7(14)5-17-2-1-13-18(15,16)6-3-11-8(10)12-4-6/h3-4,13H,1-2,5H2,(H2,9,14)(H2,10,11,12)
InChIKeyCBPWGTYBPDWFDC-UHFFFAOYSA-N
XLogP-2.16
TPSA150.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-cyano-3-pyridinyl)sulfonylamino]ethoxy]acetamide
CID 103837965
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide
CID 106240972
2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea
CID 83115293
2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethoxy]acetamide
CID 106235531
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857
5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106234889
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
2-amino-N-(2-cyclopentyloxyethyl)pyrimidine-5-sulfonamide
CID 55260708
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 62162959

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide (CID 106241017) is 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide is NC(=O)COCCNS(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide?
The InChIKey is CBPWGTYBPDWFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4S/c9-7(14)5-17-2-1-13-18(15,16)6-3-11-8(10)12-4-6/h3-4,13H,1-2,5H2,(H2,9,14)(H2,10,11,12).
What are the key properties of 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide?
2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide has a molecular weight of 275.29 g/mol, XLogP of -2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106241017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).