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

C11H20N4O3S — CID 136784800

IUPACN,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCC(C)c1nc(NCCS(=O)(=O)N(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O3S/c1-8(2)11-13-9(7-10(16)14-11)12-5-6-19(17,18)15(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyTWAOVDZHWHHDKA-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.20
Rot. Bonds6

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

N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136784800) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136784800
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCC(C)c1nc(NCCS(=O)(=O)N(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O3S/c1-8(2)11-13-9(7-10(16)14-11)12-5-6-19(17,18)15(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyTWAOVDZHWHHDKA-UHFFFAOYSA-N
XLogP0.20
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136784800) is N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CC(C)c1nc(NCCS(=O)(=O)N(C)C)cc(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is TWAOVDZHWHHDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8(2)11-13-9(7-10(16)14-11)12-5-6-19(17,18)15(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16).
What are the key properties of N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136784800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).