(2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide

C10H15N3O3S — CID 122701258

IUPAC(2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide
SMILESCc1cnc([C@H]2OCCC[C@H]2S(N)(=O)=O)nc1
InChIInChI=1S/C10H15N3O3S/c1-7-5-12-10(13-6-7)9-8(17(11,14)15)3-2-4-16-9/h5-6,8-9H,2-4H2,1H3,(H2,11,14,15)/t8-,9+/m1/s1
InChIKeyUILHBUZVIABULO-BDAKNGLRSA-N
MW257.31 g/mol
LogP0.29
Rot. Bonds2

About (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide

(2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide (PubChem CID 122701258) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide.

Molecular Properties

Compound Name(2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide
PubChem CID122701258
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name(2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide
SMILESCc1cnc([C@H]2OCCC[C@H]2S(N)(=O)=O)nc1
InChIInChI=1S/C10H15N3O3S/c1-7-5-12-10(13-6-7)9-8(17(11,14)15)3-2-4-16-9/h5-6,8-9H,2-4H2,1H3,(H2,11,14,15)/t8-,9+/m1/s1
InChIKeyUILHBUZVIABULO-BDAKNGLRSA-N
XLogP0.29
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide?
The IUPAC name of (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide (CID 122701258) is (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide.
What is the SMILES notation for (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide?
The canonical SMILES for (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide is Cc1cnc([C@H]2OCCC[C@H]2S(N)(=O)=O)nc1.
What is the InChIKey of (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide?
The InChIKey is UILHBUZVIABULO-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-5-12-10(13-6-7)9-8(17(11,14)15)3-2-4-16-9/h5-6,8-9H,2-4H2,1H3,(H2,11,14,15)/t8-,9+/m1/s1.
What are the key properties of (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide?
(2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide is sourced from PubChem (CID 122701258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).