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

C14H22F3NO2S2 — CID 135378170

IUPAC2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide
SMILESCC(C)[C@@H](NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)F)s1
InChIInChI=1S/C14H22F3NO2S2/c1-9(2)12(18-22(19)13(3,4)5)10-6-7-11(21-10)20-8-14(15,16)17/h6-7,9,12,18H,8H2,1-5H3/t12-,22?/m1/s1
InChIKeyUOLQRVXGUWSZOY-PMOHQLOOSA-N
MW357.46 g/mol
LogP4.44
Rot. Bonds6

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

2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide (PubChem CID 135378170) has the molecular formula C14H22F3NO2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide
PubChem CID135378170
Molecular FormulaC14H22F3NO2S2
Molecular Weight357.46 g/mol
Exact Mass357.10
IUPAC Name2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide
SMILESCC(C)[C@@H](NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)F)s1
InChIInChI=1S/C14H22F3NO2S2/c1-9(2)12(18-22(19)13(3,4)5)10-6-7-11(21-10)20-8-14(15,16)17/h6-7,9,12,18H,8H2,1-5H3/t12-,22?/m1/s1
InChIKeyUOLQRVXGUWSZOY-PMOHQLOOSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide (CID 135378170) is 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide is CC(C)[C@@H](NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide?
The InChIKey is UOLQRVXGUWSZOY-PMOHQLOOSA-N. The full InChI is InChI=1S/C14H22F3NO2S2/c1-9(2)12(18-22(19)13(3,4)5)10-6-7-11(21-10)20-8-14(15,16)17/h6-7,9,12,18H,8H2,1-5H3/t12-,22?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide has a molecular weight of 357.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-2-methyl-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propyl]propane-2-sulfinamide is sourced from PubChem (CID 135378170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).