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

C10H15N3O3S — CID 122701221

IUPAC(2S,3S)-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+/m0/s1
InChIKeyUILHBUZVIABULO-DTWKUNHWSA-N
MW257.31 g/mol
LogP0.29
Rot. Bonds2

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

(2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide (PubChem CID 122701221) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide.

Molecular Properties

Compound Name(2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide
PubChem CID122701221
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name(2S,3S)-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+/m0/s1
InChIKeyUILHBUZVIABULO-DTWKUNHWSA-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 (2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide?
The IUPAC name of (2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide (CID 122701221) is (2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide.
What is the SMILES notation for (2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide?
The canonical SMILES for (2S,3S)-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 (2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide?
The InChIKey is UILHBUZVIABULO-DTWKUNHWSA-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+/m0/s1.
What are the key properties of (2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide?
(2S,3S)-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 (2S,3S)-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide is sourced from PubChem (CID 122701221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).