N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide

C13H23NO3S — CID 127659906

IUPACN-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide
SMILESO=C(CS(=O)C1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H23NO3S/c15-13(14-11-4-2-1-3-5-11)10-18(16)12-6-8-17-9-7-12/h11-12H,1-10H2,(H,14,15)
InChIKeyFGFORECLGVRMNA-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.36
Rot. Bonds4

About N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide

N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide (PubChem CID 127659906) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide
PubChem CID127659906
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC NameN-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide
SMILESO=C(CS(=O)C1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H23NO3S/c15-13(14-11-4-2-1-3-5-11)10-18(16)12-6-8-17-9-7-12/h11-12H,1-10H2,(H,14,15)
InChIKeyFGFORECLGVRMNA-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 55025301
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide
CID 80714047
2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone
CID 104756311
N-cyclooctylpropanamide
CID 3387497
N-cycloundecyl-2-sulfanylacetamide
CID 59400510
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
N-cycloheptyl-2-sulfanylacetamide
CID 60650052
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide (CID 127659906) is N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide is O=C(CS(=O)C1CCOCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide?
The InChIKey is FGFORECLGVRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c15-13(14-11-4-2-1-3-5-11)10-18(16)12-6-8-17-9-7-12/h11-12H,1-10H2,(H,14,15).
What are the key properties of N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide?
N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide has a molecular weight of 273.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide is sourced from PubChem (CID 127659906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).