N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide

C12H16ClFN2O2S — CID 130327041

IUPACN-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ncc(Cl)cc2F)COC1
InChIInChI=1S/C12H16ClFN2O2S/c1-11(2,3)19(17)16-12(6-18-7-12)10-9(14)4-8(13)5-15-10/h4-5,16H,6-7H2,1-3H3
InChIKeyFLRIYFQTFAMBGJ-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.15
Rot. Bonds3

About N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide

N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 130327041) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID130327041
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC NameN-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ncc(Cl)cc2F)COC1
InChIInChI=1S/C12H16ClFN2O2S/c1-11(2,3)19(17)16-12(6-18-7-12)10-9(14)4-8(13)5-15-10/h4-5,16H,6-7H2,1-3H3
InChIKeyFLRIYFQTFAMBGJ-UHFFFAOYSA-N
XLogP2.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide (CID 130327041) is N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2ncc(Cl)cc2F)COC1.
What is the InChIKey of N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is FLRIYFQTFAMBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-11(2,3)19(17)16-12(6-18-7-12)10-9(14)4-8(13)5-15-10/h4-5,16H,6-7H2,1-3H3.
What are the key properties of N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 306.79 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 130327041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).