2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide

C12H18F3NO2S2 — CID 135377649

IUPAC2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)F)s1
InChIInChI=1S/C12H18F3NO2S2/c1-8(16-20(17)11(2,3)4)9-5-6-10(19-9)18-7-12(13,14)15/h5-6,8,16H,7H2,1-4H3/t8-,20?/m0/s1
InChIKeyJTDHPXZZNHMQFN-RQJNJCINSA-N
MW329.41 g/mol
LogP3.80
Rot. Bonds5

About 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide

2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide (PubChem CID 135377649) has the molecular formula C12H18F3NO2S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide
PubChem CID135377649
Molecular FormulaC12H18F3NO2S2
Molecular Weight329.41 g/mol
Exact Mass329.07
IUPAC Name2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)F)s1
InChIInChI=1S/C12H18F3NO2S2/c1-8(16-20(17)11(2,3)4)9-5-6-10(19-9)18-7-12(13,14)15/h5-6,8,16H,7H2,1-4H3/t8-,20?/m0/s1
InChIKeyJTDHPXZZNHMQFN-RQJNJCINSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide
CID 135378170
(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethanamine
CID 135377639
2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509270
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67510510
2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378208
N-[(1R)-1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67510508
5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid
CID 67395550
3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide
CID 130245239
(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67509758
(R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 90451760
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide (CID 135377649) is 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide?
The InChIKey is JTDHPXZZNHMQFN-RQJNJCINSA-N. The full InChI is InChI=1S/C12H18F3NO2S2/c1-8(16-20(17)11(2,3)4)9-5-6-10(19-9)18-7-12(13,14)15/h5-6,8,16H,7H2,1-4H3/t8-,20?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide has a molecular weight of 329.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 135377649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).