N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide

C9H16N4O2S — CID 103858115

IUPACN-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ncc(C)cn1
InChIInChI=1S/C9H16N4O2S/c1-3-13-16(14,15)5-4-10-9-11-6-8(2)7-12-9/h6-7,13H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyGITLXGUNIAXYDL-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.14
Rot. Bonds6

About N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide

N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide (PubChem CID 103858115) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
PubChem CID103858115
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ncc(C)cn1
InChIInChI=1S/C9H16N4O2S/c1-3-13-16(14,15)5-4-10-9-11-6-8(2)7-12-9/h6-7,13H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyGITLXGUNIAXYDL-UHFFFAOYSA-N
XLogP0.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(5-nitropyrimidin-2-yl)amino]ethanesulfonamide
CID 104626060
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
CID 104924254
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 102675409
N-ethyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176076
N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide
CID 106338349
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106343306
2-[(5-methylpyrimidin-2-yl)amino]ethanethiol
CID 116975357
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334310
N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
CID 106337998
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
5-methyl-N-octylpyrimidin-2-amine
CID 115568974
N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 106343315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide (CID 103858115) is N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1ncc(C)cn1.
What is the InChIKey of N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide?
The InChIKey is GITLXGUNIAXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-3-13-16(14,15)5-4-10-9-11-6-8(2)7-12-9/h6-7,13H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide?
N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 103858115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).