2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine

C13H20N2O2S — CID 114623799

IUPAC2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine
SMILESCC1(C)CC(S(=O)c2ncccc2N)C(C)(C)O1
InChIInChI=1S/C13H20N2O2S/c1-12(2)8-10(13(3,4)17-12)18(16)11-9(14)6-5-7-15-11/h5-7,10H,8,14H2,1-4H3
InChIKeyOIHYUPVZRBBRPU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.12
Rot. Bonds2

About 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine

2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine (PubChem CID 114623799) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine
PubChem CID114623799
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine
SMILESCC1(C)CC(S(=O)c2ncccc2N)C(C)(C)O1
InChIInChI=1S/C13H20N2O2S/c1-12(2)8-10(13(3,4)17-12)18(16)11-9(14)6-5-7-15-11/h5-7,10H,8,14H2,1-4H3
InChIKeyOIHYUPVZRBBRPU-UHFFFAOYSA-N
XLogP2.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine (CID 114623799) is 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine is CC1(C)CC(S(=O)c2ncccc2N)C(C)(C)O1.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine?
The InChIKey is OIHYUPVZRBBRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-12(2)8-10(13(3,4)17-12)18(16)11-9(14)6-5-7-15-11/h5-7,10H,8,14H2,1-4H3.
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine?
2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine has a molecular weight of 268.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine is sourced from PubChem (CID 114623799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).