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

C12H16BrClN2O2S — CID 130327049

IUPACN-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ncc(Cl)cc2Br)COC1
InChIInChI=1S/C12H16BrClN2O2S/c1-11(2,3)19(17)16-12(6-18-7-12)10-9(13)4-8(14)5-15-10/h4-5,16H,6-7H2,1-3H3
InChIKeyXTEBFGGJJMOWCX-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.77
Rot. Bonds3

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

N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 130327049) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID130327049
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC NameN-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ncc(Cl)cc2Br)COC1
InChIInChI=1S/C12H16BrClN2O2S/c1-11(2,3)19(17)16-12(6-18-7-12)10-9(13)4-8(14)5-15-10/h4-5,16H,6-7H2,1-3H3
InChIKeyXTEBFGGJJMOWCX-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide (CID 130327049) is N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2ncc(Cl)cc2Br)COC1.
What is the InChIKey of N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is XTEBFGGJJMOWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c1-11(2,3)19(17)16-12(6-18-7-12)10-9(13)4-8(14)5-15-10/h4-5,16H,6-7H2,1-3H3.
What are the key properties of N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 367.70 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromo-5-chloro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 130327049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).