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

C12H25NO2S — CID 138706841

IUPAC2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide
SMILESCCC(NS(=O)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C12H25NO2S/c1-5-11(10-6-8-15-9-7-10)13-16(14)12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyBUAJOGMDZLEJFL-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.24
Rot. Bonds4

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

2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide (PubChem CID 138706841) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide
PubChem CID138706841
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide
SMILESCCC(NS(=O)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C12H25NO2S/c1-5-11(10-6-8-15-9-7-10)13-16(14)12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyBUAJOGMDZLEJFL-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide (CID 138706841) is 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide is CCC(NS(=O)C(C)(C)C)C1CCOCC1.
What is the InChIKey of 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide?
The InChIKey is BUAJOGMDZLEJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-11(10-6-8-15-9-7-10)13-16(14)12(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide?
2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide has a molecular weight of 247.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide is sourced from PubChem (CID 138706841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).