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

C14H19F5N2O2S — CID 87426537

IUPAC2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)C(F)(F)F)nc1
InChIInChI=1S/C14H19F5N2O2S/c1-9(21-24(22)12(2,3)4)10-5-6-11(20-7-10)23-8-13(15,16)14(17,18)19/h5-7,9,21H,8H2,1-4H3
InChIKeyOXAMMUWCUMYALN-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.77
Rot. Bonds6

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

2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide (PubChem CID 87426537) has the molecular formula C14H19F5N2O2S and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
PubChem CID87426537
Molecular FormulaC14H19F5N2O2S
Molecular Weight374.38 g/mol
Exact Mass374.11
IUPAC Name2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)C(F)(F)F)nc1
InChIInChI=1S/C14H19F5N2O2S/c1-9(21-24(22)12(2,3)4)10-5-6-11(20-7-10)23-8-13(15,16)14(17,18)19/h5-7,9,21H,8H2,1-4H3
InChIKeyOXAMMUWCUMYALN-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67509758
(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509888
(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
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284679
tert-butylazanium;2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284678
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509270
N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 89479371
2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427220
2-(2-methylpropanoylamino)-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427280
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide (CID 87426537) is 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1ccc(OCC(F)(F)C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide?
The InChIKey is OXAMMUWCUMYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F5N2O2S/c1-9(21-24(22)12(2,3)4)10-5-6-11(20-7-10)23-8-13(15,16)14(17,18)19/h5-7,9,21H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide?
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide has a molecular weight of 374.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 87426537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).