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

C8H14N4O3S — CID 136784806

IUPACN,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H14N4O3S/c1-12(2)16(14,15)4-3-9-7-5-8(13)11-6-10-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyDFQBTJKQJABHFE-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.93
Rot. Bonds5

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

N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 136784806) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID136784806
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H14N4O3S/c1-12(2)16(14,15)4-3-9-7-5-8(13)11-6-10-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyDFQBTJKQJABHFE-UHFFFAOYSA-N
XLogP-0.93
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.93
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-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide (CID 136784806) is N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide is CN(C)S(=O)(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is DFQBTJKQJABHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-12(2)16(14,15)4-3-9-7-5-8(13)11-6-10-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide?
N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.93, 5 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-1H-pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 136784806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).