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

C13H19BrN2O2S — CID 142395063

IUPACN-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ccc(Br)cn2)CCOC1
InChIInChI=1S/C13H19BrN2O2S/c1-12(2,3)19(17)16-13(6-7-18-9-13)11-5-4-10(14)8-15-11/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyNSRNKDNLAIGZRZ-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.51
Rot. Bonds3

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

N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 142395063) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID142395063
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ccc(Br)cn2)CCOC1
InChIInChI=1S/C13H19BrN2O2S/c1-12(2,3)19(17)16-13(6-7-18-9-13)11-5-4-10(14)8-15-11/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyNSRNKDNLAIGZRZ-UHFFFAOYSA-N
XLogP2.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide (CID 142395063) is N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2ccc(Br)cn2)CCOC1.
What is the InChIKey of N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is NSRNKDNLAIGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-12(2,3)19(17)16-13(6-7-18-9-13)11-5-4-10(14)8-15-11/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide?
N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 347.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-2-pyridinyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 142395063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).