(1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

C11H19N3O3S — CID 122701212

IUPAC(1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
SMILESCc1cnc([C@H](OC(C)C)[C@@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C11H19N3O3S/c1-7(2)17-10(9(4)18(12,15)16)11-13-5-8(3)6-14-11/h5-7,9-10H,1-4H3,(H2,12,15,16)/t9-,10-/m1/s1
InChIKeyCVKYVFUAYJZWLZ-NXEZZACHSA-N
MW273.36 g/mol
LogP0.93
Rot. Bonds5

About (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

(1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (PubChem CID 122701212) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
PubChem CID122701212
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name(1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
SMILESCc1cnc([C@H](OC(C)C)[C@@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C11H19N3O3S/c1-7(2)17-10(9(4)18(12,15)16)11-13-5-8(3)6-14-11/h5-7,9-10H,1-4H3,(H2,12,15,16)/t9-,10-/m1/s1
InChIKeyCVKYVFUAYJZWLZ-NXEZZACHSA-N
XLogP0.93
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The IUPAC name of (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (CID 122701212) is (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.
What is the SMILES notation for (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The canonical SMILES for (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is Cc1cnc([C@H](OC(C)C)[C@@H](C)S(N)(=O)=O)nc1.
What is the InChIKey of (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The InChIKey is CVKYVFUAYJZWLZ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7(2)17-10(9(4)18(12,15)16)11-13-5-8(3)6-14-11/h5-7,9-10H,1-4H3,(H2,12,15,16)/t9-,10-/m1/s1.
What are the key properties of (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
(1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is sourced from PubChem (CID 122701212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).