(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide

C20H27NO2S — CID 11348534

IUPAC(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
SMILESC[C@H](OCc1ccccc1)[C@@H](N[S@@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H27NO2S/c1-16(23-15-17-11-7-5-8-12-17)19(18-13-9-6-10-14-18)21-24(22)20(2,3)4/h5-14,16,19,21H,15H2,1-4H3/t16-,19+,24-/m0/s1
InChIKeyZOFDLJBTZZHVLT-WVCKHHOPSA-N
MW345.51 g/mol
LogP4.38
Rot. Bonds7

About (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide (PubChem CID 11348534) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
PubChem CID11348534
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
SMILESC[C@H](OCc1ccccc1)[C@@H](N[S@@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H27NO2S/c1-16(23-15-17-11-7-5-8-12-17)19(18-13-9-6-10-14-18)21-24(22)20(2,3)4/h5-14,16,19,21H,15H2,1-4H3/t16-,19+,24-/m0/s1
InChIKeyZOFDLJBTZZHVLT-WVCKHHOPSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348533
(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
CID 11231808
(S)-N-[(1S,2S)-1-(3-ethoxy-5-fluorophenyl)-2-phenylmethoxypropyl]-2-methylpropane-2-sulfinamide
CID 152614443
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
methyl (3R,4S)-3-[[(R)-tert-butylsulfinyl]amino]-4-phenylmethoxypentanoate
CID 11427817
ethyl (2S,3R)-2-benzyl-3-(tert-butylsulfinylamino)-3-phenylpropanoate
CID 102507934
methyl 3-(tert-butylsulfinylamino)-2-fluoro-3-phenylpropanoate
CID 122210226
N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 102281928
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
N-[(1R,2S)-1,2-diphenyl-2-phenylmethoxyethyl]propan-2-amine
CID 15722769
(4R)-3-hydroxy-2,2-dimethyl-4-phenylmethoxypentanal
CID 135040857

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide (CID 11348534) is (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide is C[C@H](OCc1ccccc1)[C@@H](N[S@@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide?
The InChIKey is ZOFDLJBTZZHVLT-WVCKHHOPSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-16(23-15-17-11-7-5-8-12-17)19(18-13-9-6-10-14-18)21-24(22)20(2,3)4/h5-14,16,19,21H,15H2,1-4H3/t16-,19+,24-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide has a molecular weight of 345.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide is sourced from PubChem (CID 11348534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).