2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide

C10H14F3NO2S — CID 134989019

IUPAC2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1ccco1)C(F)(F)F
InChIInChI=1S/C10H14F3NO2S/c1-9(2,3)17(15)14-8(10(11,12)13)7-5-4-6-16-7/h4-6,8,14H,1-3H3/t8-,17?/m0/s1
InChIKeyYQIXLLNQYNUHJV-CLBCNEFWSA-N
MW269.29 g/mol
LogP2.93
Rot. Bonds3

About 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide

2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide (PubChem CID 134989019) has the molecular formula C10H14F3NO2S and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide
PubChem CID134989019
Molecular FormulaC10H14F3NO2S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC Name2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1ccco1)C(F)(F)F
InChIInChI=1S/C10H14F3NO2S/c1-9(2,3)17(15)14-8(10(11,12)13)7-5-4-6-16-7/h4-6,8,14H,1-3H3/t8-,17?/m0/s1
InChIKeyYQIXLLNQYNUHJV-CLBCNEFWSA-N
XLogP2.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide (CID 134989019) is 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](c1ccco1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide?
The InChIKey is YQIXLLNQYNUHJV-CLBCNEFWSA-N. The full InChI is InChI=1S/C10H14F3NO2S/c1-9(2,3)17(15)14-8(10(11,12)13)7-5-4-6-16-7/h4-6,8,14H,1-3H3/t8-,17?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide has a molecular weight of 269.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 134989019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).