1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide

C10H15F2N3O2S — CID 134532122

IUPAC1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide
SMILESCc1cnc(C(OCC(F)F)C(C)S(N)=O)nc1
InChIInChI=1S/C10H15F2N3O2S/c1-6-3-14-10(15-4-6)9(7(2)18(13)16)17-5-8(11)12/h3-4,7-9H,5,13H2,1-2H3
InChIKeyKGLIFKUWJGHJAL-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.12
Rot. Bonds6

About 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide

1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide (PubChem CID 134532122) has the molecular formula C10H15F2N3O2S and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide
PubChem CID134532122
Molecular FormulaC10H15F2N3O2S
Molecular Weight279.31 g/mol
Exact Mass279.09
IUPAC Name1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide
SMILESCc1cnc(C(OCC(F)F)C(C)S(N)=O)nc1
InChIInChI=1S/C10H15F2N3O2S/c1-6-3-14-10(15-4-6)9(7(2)18(13)16)17-5-8(11)12/h3-4,7-9H,5,13H2,1-2H3
InChIKeyKGLIFKUWJGHJAL-UHFFFAOYSA-N
XLogP1.12
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10221162, Example 737.0
CID 122701984
2-(1-Ethoxyvinyl)-5-(fluoromethyl)pyrimidine
CID 121393922
(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122701438
(1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 122701611
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122702200
1-(5-Fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122702643
2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine
CID 126511120
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
CID 126553352
(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide
CID 126592599
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
CID 126603103
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 132086666
1-(5-Fluoropyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 132086667

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide?
The IUPAC name of 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide (CID 134532122) is 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide?
The canonical SMILES for 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide is Cc1cnc(C(OCC(F)F)C(C)S(N)=O)nc1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide?
The InChIKey is KGLIFKUWJGHJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2S/c1-6-3-14-10(15-4-6)9(7(2)18(13)16)17-5-8(11)12/h3-4,7-9H,5,13H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide?
1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide has a molecular weight of 279.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide is sourced from PubChem (CID 134532122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).