N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

C10H18N4O3S — CID 136757567

IUPACN-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C10H18N4O3S/c1-3-8-13-9(7-10(15)14-8)11-5-6-18(16,17)12-4-2/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15)
InChIKeyRMFFTRNAYAVYJW-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.32
Rot. Bonds7

About N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide

N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136757567) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136757567
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C10H18N4O3S/c1-3-8-13-9(7-10(15)14-8)11-5-6-18(16,17)12-4-2/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15)
InChIKeyRMFFTRNAYAVYJW-UHFFFAOYSA-N
XLogP-0.32
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136757567) is N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is RMFFTRNAYAVYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-3-8-13-9(7-10(15)14-8)11-5-6-18(16,17)12-4-2/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15).
What are the key properties of N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136757567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).