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

C8H15N5O4S — CID 54933727

IUPAC2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide
SMILESCCn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O4S/c1-2-13-6(9)5(7(14)12-8(13)15)11-3-4-18(10,16)17/h11H,2-4,9H2,1H3,(H2,10,16,17)(H,12,14,15)
InChIKeyHDFYEABQUYMJKE-UHFFFAOYSA-N
MW277.31 g/mol
LogP-2.16
Rot. Bonds5

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

2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide (PubChem CID 54933727) has the molecular formula C8H15N5O4S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide
PubChem CID54933727
Molecular FormulaC8H15N5O4S
Molecular Weight277.31 g/mol
Exact Mass277.08
IUPAC Name2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide
SMILESCCn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O4S/c1-2-13-6(9)5(7(14)12-8(13)15)11-3-4-18(10,16)17/h11H,2-4,9H2,1H3,(H2,10,16,17)(H,12,14,15)
InChIKeyHDFYEABQUYMJKE-UHFFFAOYSA-N
XLogP-2.16
TPSA153.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 5-2.16
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-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide (CID 54933727) is 2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide is CCn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide?
The InChIKey is HDFYEABQUYMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O4S/c1-2-13-6(9)5(7(14)12-8(13)15)11-3-4-18(10,16)17/h11H,2-4,9H2,1H3,(H2,10,16,17)(H,12,14,15).
What are the key properties of 2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide?
2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide has a molecular weight of 277.31 g/mol, XLogP of -2.16, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 54933727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).