(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide

C16H27NO2S — CID 11231808

IUPAC(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
SMILESCC[C@H](N[S@](=O)C(C)(C)C)[C@H](C)OCc1ccccc1
InChIInChI=1S/C16H27NO2S/c1-6-15(17-20(18)16(3,4)5)13(2)19-12-14-10-8-7-9-11-14/h7-11,13,15,17H,6,12H2,1-5H3/t13-,15-,20+/m0/s1
InChIKeyRNMNBTFABBFTMM-ZQGRQUNCSA-N
MW297.46 g/mol
LogP3.42
Rot. Bonds7

About (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide (PubChem CID 11231808) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
PubChem CID11231808
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
SMILESCC[C@H](N[S@](=O)C(C)(C)C)[C@H](C)OCc1ccccc1
InChIInChI=1S/C16H27NO2S/c1-6-15(17-20(18)16(3,4)5)13(2)19-12-14-10-8-7-9-11-14/h7-11,13,15,17H,6,12H2,1-5H3/t13-,15-,20+/m0/s1
InChIKeyRNMNBTFABBFTMM-ZQGRQUNCSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R,4S)-3-[[(R)-tert-butylsulfinyl]amino]-4-phenylmethoxypentanoate
CID 11427817
(R)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348533
(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348534
(S)-N-[(1S,2S)-1-(3-ethoxy-5-fluorophenyl)-2-phenylmethoxypropyl]-2-methylpropane-2-sulfinamide
CID 152614443
(4-methoxyphenyl)methyl (2S,3R)-2-benzyl-3-(tert-butylsulfinylamino)pentanoate
CID 101209671
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
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
[(3S)-3-iodopentan-2-yl]oxymethylbenzene
CID 161266515
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
CID 10756445

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide (CID 11231808) is (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide is CC[C@H](N[S@](=O)C(C)(C)C)[C@H](C)OCc1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide?
The InChIKey is RNMNBTFABBFTMM-ZQGRQUNCSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-15(17-20(18)16(3,4)5)13(2)19-12-14-10-8-7-9-11-14/h7-11,13,15,17H,6,12H2,1-5H3/t13-,15-,20+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide has a molecular weight of 297.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 11231808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).