2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide

C11H23NO2S — CID 67033650

IUPAC2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-9(10-5-7-14-8-6-10)12-15(13)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,15?/m0/s1
InChIKeyNRVDDVBHDZVQIP-HJULIUOESA-N
MW233.38 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide

2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide (PubChem CID 67033650) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
PubChem CID67033650
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-9(10-5-7-14-8-6-10)12-15(13)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,15?/m0/s1
InChIKeyNRVDDVBHDZVQIP-HJULIUOESA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide (CID 67033650) is 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)C)C1CCOCC1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide?
The InChIKey is NRVDDVBHDZVQIP-HJULIUOESA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(10-5-7-14-8-6-10)12-15(13)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,15?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide has a molecular weight of 233.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 67033650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).