2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide

C14H21NO2S — CID 102140135

IUPAC2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NS(=O)C(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-11(16)13(15-18(17)14(2,3)4)10-12-8-6-5-7-9-12/h5-9,13,15H,10H2,1-4H3/t13-,18?/m1/s1
InChIKeyUDIOXFIUXXEXGZ-YJJYDOSJSA-N
MW267.39 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide

2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide (PubChem CID 102140135) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
PubChem CID102140135
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NS(=O)C(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-11(16)13(15-18(17)14(2,3)4)10-12-8-6-5-7-9-12/h5-9,13,15H,10H2,1-4H3/t13-,18?/m1/s1
InChIKeyUDIOXFIUXXEXGZ-YJJYDOSJSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
CID 10756445
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide
CID 142230277
N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide
CID 101420817
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
ethyl (2S,3R)-2-benzyl-3-(tert-butylsulfinylamino)-3-phenylpropanoate
CID 102507934
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide (CID 102140135) is 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide is CC(=O)[C@@H](Cc1ccccc1)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide?
The InChIKey is UDIOXFIUXXEXGZ-YJJYDOSJSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(16)13(15-18(17)14(2,3)4)10-12-8-6-5-7-9-12/h5-9,13,15H,10H2,1-4H3/t13-,18?/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide has a molecular weight of 267.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 102140135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).