(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide

C14H21F3N2O2S — CID 67509888

IUPAC(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C14H21F3N2O2S/c1-10(19-22(20)13(2,3)4)11-5-6-12(18-9-11)21-8-7-14(15,16)17/h5-6,9-10,19H,7-8H2,1-4H3/t10?,22-/m1/s1
InChIKeyLJUCMCSIZDJJGR-CMBJDDPVSA-N
MW338.40 g/mol
LogP3.53
Rot. Bonds6

About (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide (PubChem CID 67509888) has the molecular formula C14H21F3N2O2S and a molecular weight of 338.40 g/mol. Its IUPAC name is (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
PubChem CID67509888
Molecular FormulaC14H21F3N2O2S
Molecular Weight338.40 g/mol
Exact Mass338.13
IUPAC Name(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C14H21F3N2O2S/c1-10(19-22(20)13(2,3)4)11-5-6-12(18-9-11)21-8-7-14(15,16)17/h5-6,9-10,19H,7-8H2,1-4H3/t10?,22-/m1/s1
InChIKeyLJUCMCSIZDJJGR-CMBJDDPVSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67509758
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 87426537
(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 156777027
(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 159800437
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 78034981
2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 161116148
2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 56967013
2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508895
N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 89479371
N-ethyl-1-[6-(3-methoxy-3-methylbutoxy)-3-pyridinyl]ethanamine
CID 106665931
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide (CID 67509888) is (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide is CC(N[S@](=O)C(C)(C)C)c1ccc(OCCC(F)(F)F)nc1.
What is the InChIKey of (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide?
The InChIKey is LJUCMCSIZDJJGR-CMBJDDPVSA-N. The full InChI is InChI=1S/C14H21F3N2O2S/c1-10(19-22(20)13(2,3)4)11-5-6-12(18-9-11)21-8-7-14(15,16)17/h5-6,9-10,19H,7-8H2,1-4H3/t10?,22-/m1/s1.
What are the key properties of (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide has a molecular weight of 338.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 67509888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).