2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide

C11H23NO2S — CID 67033563

IUPAC2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCC1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)15(13)12-7-4-10-5-8-14-9-6-10/h10,12H,4-9H2,1-3H3
InChIKeyFJQOPQPBOWXRQJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide

2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide (PubChem CID 67033563) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide
PubChem CID67033563
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCC1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)15(13)12-7-4-10-5-8-14-9-6-10/h10,12H,4-9H2,1-3H3
InChIKeyFJQOPQPBOWXRQJ-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide (CID 67033563) is 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide is CC(C)(C)S(=O)NCCC1CCOCC1.
What is the InChIKey of 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide?
The InChIKey is FJQOPQPBOWXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,3)15(13)12-7-4-10-5-8-14-9-6-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide has a molecular weight of 233.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 67033563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).