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

C12H19N3O3S — CID 110118014

IUPACN-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccnc(C2CCCOC2)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
InChIKeyYJYRUKGZJLKWJY-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.81
Rot. Bonds5

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

N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide (PubChem CID 110118014) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
PubChem CID110118014
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccnc(C2CCCOC2)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
InChIKeyYJYRUKGZJLKWJY-UHFFFAOYSA-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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Related Compounds

N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
CID 125021480
4-fluoro-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 110118016
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
CID 124957512
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
CID 125025075
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117950
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
CID 125016091
2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117974
1-methyl-4-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,4-diazepane
CID 155983698
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117996
2-imidazol-1-yl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117959
2-(2-fluorophenoxy)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124987265

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide (CID 110118014) is N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccnc(C2CCCOC2)n1.
What is the InChIKey of N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is YJYRUKGZJLKWJY-UHFFFAOYSA-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.
What are the key properties of N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide?
N-[[2-(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-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 110118014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).