(1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

C10H17N3O3S — CID 156514266

IUPAC(1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCCO[C@@H](c1ncc(C)cn1)C(C)S(N)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-4-16-9(8(3)17(11,14)15)10-12-5-7(2)6-13-10/h5-6,8-9H,4H2,1-3H3,(H2,11,14,15)/t8?,9-/m1/s1
InChIKeyQTFOITGZOMITTG-YGPZHTELSA-N
MW259.33 g/mol
LogP0.54
Rot. Bonds5

About (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

(1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 156514266) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name(1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
PubChem CID156514266
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name(1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCCO[C@@H](c1ncc(C)cn1)C(C)S(N)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-4-16-9(8(3)17(11,14)15)10-12-5-7(2)6-13-10/h5-6,8-9H,4H2,1-3H3,(H2,11,14,15)/t8?,9-/m1/s1
InChIKeyQTFOITGZOMITTG-YGPZHTELSA-N
XLogP0.54
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The IUPAC name of (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (CID 156514266) is (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The canonical SMILES for (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is CCO[C@@H](c1ncc(C)cn1)C(C)S(N)(=O)=O.
What is the InChIKey of (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The InChIKey is QTFOITGZOMITTG-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-4-16-9(8(3)17(11,14)15)10-12-5-7(2)6-13-10/h5-6,8-9H,4H2,1-3H3,(H2,11,14,15)/t8?,9-/m1/s1.
What are the key properties of (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
(1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 156514266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).