(R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide

C16H26FNO3S2 — CID 135054248

IUPAC(R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@H](N[S@](=O)C(C)(C)C)[C@@H](F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26FNO3S2/c1-15(2,3)13(18-22(19)16(4,5)6)14(17)23(20,21)12-10-8-7-9-11-12/h7-11,13-14,18H,1-6H3/t13-,14+,22-/m1/s1
InChIKeyISSZEXNDGXPIKY-ALLJEULLSA-N
MW363.52 g/mol
LogP3.22
Rot. Bonds5

About (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135054248) has the molecular formula C16H26FNO3S2 and a molecular weight of 363.52 g/mol. Its IUPAC name is (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID135054248
Molecular FormulaC16H26FNO3S2
Molecular Weight363.52 g/mol
Exact Mass363.13
IUPAC Name(R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@H](N[S@](=O)C(C)(C)C)[C@@H](F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26FNO3S2/c1-15(2,3)13(18-22(19)16(4,5)6)14(17)23(20,21)12-10-8-7-9-11-12/h7-11,13-14,18H,1-6H3/t13-,14+,22-/m1/s1
InChIKeyISSZEXNDGXPIKY-ALLJEULLSA-N
XLogP3.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide (CID 135054248) is (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[C@H](N[S@](=O)C(C)(C)C)[C@@H](F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ISSZEXNDGXPIKY-ALLJEULLSA-N. The full InChI is InChI=1S/C16H26FNO3S2/c1-15(2,3)13(18-22(19)16(4,5)6)14(17)23(20,21)12-10-8-7-9-11-12/h7-11,13-14,18H,1-6H3/t13-,14+,22-/m1/s1.
What are the key properties of (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 363.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S,2S)-1-(benzenesulfonyl)-1-fluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135054248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).