2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide

C7H13N5O4S — CID 54933728

IUPAC2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide
SMILESCn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O4S/c1-12-5(8)4(6(13)11-7(12)14)10-2-3-17(9,15)16/h10H,2-3,8H2,1H3,(H2,9,15,16)(H,11,13,14)
InChIKeyKNLCEYAGXGYDBP-UHFFFAOYSA-N
MW263.28 g/mol
LogP-2.64
Rot. Bonds4

About 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide

2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide (PubChem CID 54933728) has the molecular formula C7H13N5O4S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide
PubChem CID54933728
Molecular FormulaC7H13N5O4S
Molecular Weight263.28 g/mol
Exact Mass263.07
IUPAC Name2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide
SMILESCn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O4S/c1-12-5(8)4(6(13)11-7(12)14)10-2-3-17(9,15)16/h10H,2-3,8H2,1H3,(H2,9,15,16)(H,11,13,14)
InChIKeyKNLCEYAGXGYDBP-UHFFFAOYSA-N
XLogP-2.64
TPSA153.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-2.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide (CID 54933728) is 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide is Cn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide?
The InChIKey is KNLCEYAGXGYDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O4S/c1-12-5(8)4(6(13)11-7(12)14)10-2-3-17(9,15)16/h10H,2-3,8H2,1H3,(H2,9,15,16)(H,11,13,14).
What are the key properties of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide?
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide has a molecular weight of 263.28 g/mol, XLogP of -2.64, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 54933728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).