(R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide

C14H20FNOS — CID 67270473

IUPAC(R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC(N[S@](=O)C(C)(C)C)[C@H](F)c1ccccc1
InChIInChI=1S/C14H20FNOS/c1-5-12(16-18(17)14(2,3)4)13(15)11-9-7-6-8-10-11/h5-10,12-13,16H,1H2,2-4H3/t12?,13-,18-/m1/s1
InChIKeyCZLSUCAFYOTZCW-CQWUKTPGSA-N
MW269.38 g/mol
LogP3.30
Rot. Bonds5

About (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 67270473) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID67270473
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name(R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC(N[S@](=O)C(C)(C)C)[C@H](F)c1ccccc1
InChIInChI=1S/C14H20FNOS/c1-5-12(16-18(17)14(2,3)4)13(15)11-9-7-6-8-10-11/h5-10,12-13,16H,1H2,2-4H3/t12?,13-,18-/m1/s1
InChIKeyCZLSUCAFYOTZCW-CQWUKTPGSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide
CID 134968659
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
methyl 3-(tert-butylsulfinylamino)-2-fluoro-3-phenylpropanoate
CID 122210226
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
(S)-N-[(1S)-1-(2,6-difluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide
CID 90375212
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
CID 121314661
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
N-[(1R)-3-chloro-1-phenylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 122211942
N-[(1S)-3-chloro-1-phenylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 122211943

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide (CID 67270473) is (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide is C=CC(N[S@](=O)C(C)(C)C)[C@H](F)c1ccccc1.
What is the InChIKey of (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is CZLSUCAFYOTZCW-CQWUKTPGSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-5-12(16-18(17)14(2,3)4)13(15)11-9-7-6-8-10-11/h5-10,12-13,16H,1H2,2-4H3/t12?,13-,18-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 269.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67270473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).