(E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide

C9H13N3O2S — CID 122701338

IUPAC(E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide
SMILESC/C(=C(/C)S(N)(=O)=O)c1ncc(C)cn1
InChIInChI=1S/C9H13N3O2S/c1-6-4-11-9(12-5-6)7(2)8(3)15(10,13)14/h4-5H,1-3H3,(H2,10,13,14)/b8-7+
InChIKeyRPXLIJOEEAWCEK-BQYQJAHWSA-N
MW227.29 g/mol
LogP0.82
Rot. Bonds2

About (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide

(E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide (PubChem CID 122701338) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide.

Molecular Properties

Compound Name(E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide
PubChem CID122701338
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide
SMILESC/C(=C(/C)S(N)(=O)=O)c1ncc(C)cn1
InChIInChI=1S/C9H13N3O2S/c1-6-4-11-9(12-5-6)7(2)8(3)15(10,13)14/h4-5H,1-3H3,(H2,10,13,14)/b8-7+
InChIKeyRPXLIJOEEAWCEK-BQYQJAHWSA-N
XLogP0.82
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
(4-Amino-2-methylpyrimidin-5-yl)methanesulfonic acid
CID 295887
5-(Tert-butylsulfonyl)-2-methylpyrimidin-4-amine
CID 2778601
Pyrimidine-5-sulfonamide
CID 19091293
5-Methylpyrimidine-2-sulfonyl fluoride
CID 53435890
2-amino-N,N-dimethylpyrimidine-5-sulfonamide
CID 62150682
(2-Methylpyrimidin-5-yl)methanethiol
CID 165950256
N-(2-{[4-(Dimethylamino)-5-methylpyrimidin-2-YL]amino}ethyl)-N-methylmethanesulfonamide
CID 50949787
5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 63208027
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 77080738
5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 136519674
N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 66624389

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide?
The IUPAC name of (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide (CID 122701338) is (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide.
What is the SMILES notation for (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide?
The canonical SMILES for (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide is C/C(=C(/C)S(N)(=O)=O)c1ncc(C)cn1.
What is the InChIKey of (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide?
The InChIKey is RPXLIJOEEAWCEK-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-4-11-9(12-5-6)7(2)8(3)15(10,13)14/h4-5H,1-3H3,(H2,10,13,14)/b8-7+.
What are the key properties of (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide?
(E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide has a molecular weight of 227.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylpyrimidin-2-yl)but-2-ene-2-sulfonamide is sourced from PubChem (CID 122701338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).