2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide

C12H18N2O2S — CID 67957992

IUPAC2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ccccn2)COC1
InChIInChI=1S/C12H18N2O2S/c1-11(2,3)17(15)14-12(8-16-9-12)10-6-4-5-7-13-10/h4-7,14H,8-9H2,1-3H3
InChIKeyGDZUZXLKCAKBKG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.36
Rot. Bonds3

About 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide

2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide (PubChem CID 67957992) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide
PubChem CID67957992
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ccccn2)COC1
InChIInChI=1S/C12H18N2O2S/c1-11(2,3)17(15)14-12(8-16-9-12)10-6-4-5-7-13-10/h4-7,14H,8-9H2,1-3H3
InChIKeyGDZUZXLKCAKBKG-UHFFFAOYSA-N
XLogP1.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide (CID 67957992) is 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2ccccn2)COC1.
What is the InChIKey of 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide?
The InChIKey is GDZUZXLKCAKBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-11(2,3)17(15)14-12(8-16-9-12)10-6-4-5-7-13-10/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide?
2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide has a molecular weight of 254.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyridin-2-yloxetan-3-yl)propane-2-sulfinamide is sourced from PubChem (CID 67957992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).