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

C11H20N4O3S — CID 136757562

IUPACN-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H20N4O3S/c1-4-13-19(17,18)6-5-12-9-7-10(16)15-11(14-9)8(2)3/h7-8,13H,4-6H2,1-3H3,(H2,12,14,15,16)
InChIKeyPGNVOTFTKYKVFZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.24
Rot. Bonds7

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

N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136757562) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136757562
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H20N4O3S/c1-4-13-19(17,18)6-5-12-9-7-10(16)15-11(14-9)8(2)3/h7-8,13H,4-6H2,1-3H3,(H2,12,14,15,16)
InChIKeyPGNVOTFTKYKVFZ-UHFFFAOYSA-N
XLogP0.24
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136757562) is N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is PGNVOTFTKYKVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-13-19(17,18)6-5-12-9-7-10(16)15-11(14-9)8(2)3/h7-8,13H,4-6H2,1-3H3,(H2,12,14,15,16).
What are the key properties of N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136757562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).