(R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

C13H16F2N2OS — CID 177315231

IUPAC(R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc(C#N)c1F
InChIInChI=1S/C13H16F2N2OS/c1-8(17-19(18)13(2,3)4)11-6-10(14)5-9(7-16)12(11)15/h5-6,8,17H,1-4H3/t8-,19-/m1/s1
InChIKeyJZJCMYYDHDBFNS-LILOVNGRSA-N
MW286.35 g/mol
LogP2.95
Rot. Bonds3

About (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 177315231) has the molecular formula C13H16F2N2OS and a molecular weight of 286.35 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID177315231
Molecular FormulaC13H16F2N2OS
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc(C#N)c1F
InChIInChI=1S/C13H16F2N2OS/c1-8(17-19(18)13(2,3)4)11-6-10(14)5-9(7-16)12(11)15/h5-6,8,17H,1-4H3/t8-,19-/m1/s1
InChIKeyJZJCMYYDHDBFNS-LILOVNGRSA-N
XLogP2.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 177315231) is (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc(C#N)c1F.
What is the InChIKey of (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JZJCMYYDHDBFNS-LILOVNGRSA-N. The full InChI is InChI=1S/C13H16F2N2OS/c1-8(17-19(18)13(2,3)4)11-6-10(14)5-9(7-16)12(11)15/h5-6,8,17H,1-4H3/t8-,19-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 286.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 177315231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).