(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide

C16H24FNO3S — CID 169081097

IUPAC(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cc(O[C@@H]2CCOC2)ccc1F
InChIInChI=1S/C16H24FNO3S/c1-11(18-22(19)16(2,3)4)14-9-12(5-6-15(14)17)21-13-7-8-20-10-13/h5-6,9,11,13,18H,7-8,10H2,1-4H3/t11-,13+,22+/m0/s1
InChIKeyJNUKTDIFVGDJCB-WBLQJCTDSA-N
MW329.44 g/mol
LogP3.11
Rot. Bonds5

About (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169081097) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169081097
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC Name(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cc(O[C@@H]2CCOC2)ccc1F
InChIInChI=1S/C16H24FNO3S/c1-11(18-22(19)16(2,3)4)14-9-12(5-6-15(14)17)21-13-7-8-20-10-13/h5-6,9,11,13,18H,7-8,10H2,1-4H3/t11-,13+,22+/m0/s1
InChIKeyJNUKTDIFVGDJCB-WBLQJCTDSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 169081097) is (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1cc(O[C@@H]2CCOC2)ccc1F.
What is the InChIKey of (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JNUKTDIFVGDJCB-WBLQJCTDSA-N. The full InChI is InChI=1S/C16H24FNO3S/c1-11(18-22(19)16(2,3)4)14-9-12(5-6-15(14)17)21-13-7-8-20-10-13/h5-6,9,11,13,18H,7-8,10H2,1-4H3/t11-,13+,22+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 329.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169081097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).