(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

C11H16ClFN2OS — CID 163278122

IUPAC(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(Cl)c(F)cn1
InChIInChI=1S/C11H16ClFN2OS/c1-7(15-17(16)11(2,3)4)10-5-8(12)9(13)6-14-10/h5-7,15H,1-4H3/t7-,17-/m1/s1
InChIKeyAXVWOERCYISQLB-IWEMQMMOSA-N
MW278.78 g/mol
LogP2.99
Rot. Bonds3

About (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 163278122) has the molecular formula C11H16ClFN2OS and a molecular weight of 278.78 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID163278122
Molecular FormulaC11H16ClFN2OS
Molecular Weight278.78 g/mol
Exact Mass278.07
IUPAC Name(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(Cl)c(F)cn1
InChIInChI=1S/C11H16ClFN2OS/c1-7(15-17(16)11(2,3)4)10-5-8(12)9(13)6-14-10/h5-7,15H,1-4H3/t7-,17-/m1/s1
InChIKeyAXVWOERCYISQLB-IWEMQMMOSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 68561497
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278753
(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 158673447
2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide
CID 165403084
(R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 129073637
(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide
CID 129387650
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 134585706
(S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 11565570
N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 130273068
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
(R)-N-[(1S)-1-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 163961713

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (CID 163278122) is (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(Cl)c(F)cn1.
What is the InChIKey of (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is AXVWOERCYISQLB-IWEMQMMOSA-N. The full InChI is InChI=1S/C11H16ClFN2OS/c1-7(15-17(16)11(2,3)4)10-5-8(12)9(13)6-14-10/h5-7,15H,1-4H3/t7-,17-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 278.78 g/mol, XLogP of 2.99, 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-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163278122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).