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

C11H17FN2OS — CID 66661070

IUPACN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2OS/c1-8(14-16(15)11(2,3)4)10-6-5-9(12)7-13-10/h5-8,14H,1-4H3/t8-,16?/m1/s1
InChIKeyBAWJTWRNDKQESC-YRFRWJCTSA-N
MW244.33 g/mol
LogP2.33
Rot. Bonds3

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

N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 66661070) has the molecular formula C11H17FN2OS and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID66661070
Molecular FormulaC11H17FN2OS
Molecular Weight244.33 g/mol
Exact Mass244.10
IUPAC NameN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2OS/c1-8(14-16(15)11(2,3)4)10-6-5-9(12)7-13-10/h5-8,14H,1-4H3/t8-,16?/m1/s1
InChIKeyBAWJTWRNDKQESC-YRFRWJCTSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (CID 66661070) is N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BAWJTWRNDKQESC-YRFRWJCTSA-N. The full InChI is InChI=1S/C11H17FN2OS/c1-8(14-16(15)11(2,3)4)10-6-5-9(12)7-13-10/h5-8,14H,1-4H3/t8-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 244.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 66661070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).