2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide

C6H13N3O5S — CID 79578775

IUPAC2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)CCO
InChIInChI=1S/C6H13N3O5S/c7-5(11)3-9(4-6(8)12)15(13,14)2-1-10/h10H,1-4H2,(H2,7,11)(H2,8,12)
InChIKeyFTIYBPCHWFVUGY-UHFFFAOYSA-N
MW239.25 g/mol
LogP-3.42
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide (PubChem CID 79578775) has the molecular formula C6H13N3O5S and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide
PubChem CID79578775
Molecular FormulaC6H13N3O5S
Molecular Weight239.25 g/mol
Exact Mass239.06
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)CCO
InChIInChI=1S/C6H13N3O5S/c7-5(11)3-9(4-6(8)12)15(13,14)2-1-10/h10H,1-4H2,(H2,7,11)(H2,8,12)
InChIKeyFTIYBPCHWFVUGY-UHFFFAOYSA-N
XLogP-3.42
TPSA143.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-3.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide (CID 79578775) is 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide is NC(=O)CN(CC(N)=O)S(=O)(=O)CCO.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide?
The InChIKey is FTIYBPCHWFVUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O5S/c7-5(11)3-9(4-6(8)12)15(13,14)2-1-10/h10H,1-4H2,(H2,7,11)(H2,8,12).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide has a molecular weight of 239.25 g/mol, XLogP of -3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-hydroxyethylsulfonyl)amino]acetamide is sourced from PubChem (CID 79578775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).