N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide

C12H19N3O3S — CID 125021480

IUPACN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccnc([C@H]2CCCOC2)n1
InChIInChI=1S/C12H19N3O3S/c1-2-19(16,17)14-8-11-5-6-13-12(15-11)10-4-3-7-18-9-10/h5-6,10,14H,2-4,7-9H2,1H3/t10-/m0/s1
InChIKeyYJYRUKGZJLKWJY-JTQLQIEISA-N
MW285.37 g/mol
LogP0.81
Rot. Bonds5

About N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide

N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide (PubChem CID 125021480) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
PubChem CID125021480
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccnc([C@H]2CCCOC2)n1
InChIInChI=1S/C12H19N3O3S/c1-2-19(16,17)14-8-11-5-6-13-12(15-11)10-4-3-7-18-9-10/h5-6,10,14H,2-4,7-9H2,1H3/t10-/m0/s1
InChIKeyYJYRUKGZJLKWJY-JTQLQIEISA-N
XLogP0.81
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide (CID 125021480) is N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccnc([C@H]2CCCOC2)n1.
What is the InChIKey of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is YJYRUKGZJLKWJY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-19(16,17)14-8-11-5-6-13-12(15-11)10-4-3-7-18-9-10/h5-6,10,14H,2-4,7-9H2,1H3/t10-/m0/s1.
What are the key properties of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide?
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 125021480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).