2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide

C8H13N3O3S — CID 79578505

IUPAC2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide
SMILESCc1nccc(CNS(=O)(=O)CCO)n1
InChIInChI=1S/C8H13N3O3S/c1-7-9-3-2-8(11-7)6-10-15(13,14)5-4-12/h2-3,10,12H,4-6H2,1H3
InChIKeyBCLSKNSLGWACBX-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.80
Rot. Bonds5

About 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide

2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide (PubChem CID 79578505) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide
PubChem CID79578505
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide
SMILESCc1nccc(CNS(=O)(=O)CCO)n1
InChIInChI=1S/C8H13N3O3S/c1-7-9-3-2-8(11-7)6-10-15(13,14)5-4-12/h2-3,10,12H,4-6H2,1H3
InChIKeyBCLSKNSLGWACBX-UHFFFAOYSA-N
XLogP-0.80
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide
CID 79578690
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
4-amino-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126991
3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 81259080
N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723335
5-(aminomethyl)-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 106013710
4-amino-2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61125639
2-(aminomethyl)-5-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 106013682
2-amino-5-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126794
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 122354453
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849
2-bromo-4,6-difluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61066611

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide (CID 79578505) is 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide is Cc1nccc(CNS(=O)(=O)CCO)n1.
What is the InChIKey of 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide?
The InChIKey is BCLSKNSLGWACBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-7-9-3-2-8(11-7)6-10-15(13,14)5-4-12/h2-3,10,12H,4-6H2,1H3.
What are the key properties of 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide?
2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 79578505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).