2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide

C8H14N4O4S2 — CID 79864717

IUPAC2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H14N4O4S2/c1-12(3-4-17(2,13)14)18(15,16)7-5-10-8(9)11-6-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyZQJBJPRPOJSSPG-UHFFFAOYSA-N
MW294.36 g/mol
LogP-1.28
Rot. Bonds5

About 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide

2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide (PubChem CID 79864717) has the molecular formula C8H14N4O4S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
PubChem CID79864717
Molecular FormulaC8H14N4O4S2
Molecular Weight294.36 g/mol
Exact Mass294.05
IUPAC Name2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H14N4O4S2/c1-12(3-4-17(2,13)14)18(15,16)7-5-10-8(9)11-6-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyZQJBJPRPOJSSPG-UHFFFAOYSA-N
XLogP-1.28
TPSA123.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 62143970
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide
CID 62336474
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide
CID 79863901
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 62162959
2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
CID 62149065
2-amino-N-(2-hydroxyethyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153161
5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide
CID 79865256
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
2-amino-N-cyclopentyl-N-methylpyrimidine-5-sulfonamide
CID 62142744

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide (CID 79864717) is 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide?
The InChIKey is ZQJBJPRPOJSSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S2/c1-12(3-4-17(2,13)14)18(15,16)7-5-10-8(9)11-6-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide?
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide has a molecular weight of 294.36 g/mol, XLogP of -1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 79864717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).