N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide

C8H13FN4O2S — CID 106341567

IUPACN-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(F)ncn1
InChIInChI=1S/C8H13FN4O2S/c1-2-13-16(14,15)4-3-10-8-5-7(9)11-6-12-8/h5-6,13H,2-4H2,1H3,(H,10,11,12)
InChIKeyTYGYHUBKLXSYAS-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.03
Rot. Bonds6

About N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide

N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 106341567) has the molecular formula C8H13FN4O2S and a molecular weight of 248.28 g/mol. Its IUPAC name is N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID106341567
Molecular FormulaC8H13FN4O2S
Molecular Weight248.28 g/mol
Exact Mass248.07
IUPAC NameN-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(F)ncn1
InChIInChI=1S/C8H13FN4O2S/c1-2-13-16(14,15)4-3-10-8-5-7(9)11-6-12-8/h5-6,13H,2-4H2,1H3,(H,10,11,12)
InChIKeyTYGYHUBKLXSYAS-UHFFFAOYSA-N
XLogP-0.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide (CID 106341567) is N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1cc(F)ncn1.
What is the InChIKey of N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is TYGYHUBKLXSYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2S/c1-2-13-16(14,15)4-3-10-8-5-7(9)11-6-12-8/h5-6,13H,2-4H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 248.28 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-fluoropyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106341567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).