3-[(S)-octylsulfinyl]propanamide

C11H23NO2S — CID 98083877

IUPAC3-[(S)-octylsulfinyl]propanamide
SMILESCCCCCCCC[S@](=O)CCC(N)=O
InChIInChI=1S/C11H23NO2S/c1-2-3-4-5-6-7-9-15(14)10-8-11(12)13/h2-10H2,1H3,(H2,12,13)/t15-/m0/s1
InChIKeySRQJRNJELZQTQM-HNNXBMFYSA-N
MW233.38 g/mol
LogP1.97
Rot. Bonds10

About 3-[(S)-octylsulfinyl]propanamide

3-[(S)-octylsulfinyl]propanamide (PubChem CID 98083877) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-[(S)-octylsulfinyl]propanamide.

Molecular Properties

Compound Name3-[(S)-octylsulfinyl]propanamide
PubChem CID98083877
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-[(S)-octylsulfinyl]propanamide
SMILESCCCCCCCC[S@](=O)CCC(N)=O
InChIInChI=1S/C11H23NO2S/c1-2-3-4-5-6-7-9-15(14)10-8-11(12)13/h2-10H2,1H3,(H2,12,13)/t15-/m0/s1
InChIKeySRQJRNJELZQTQM-HNNXBMFYSA-N
XLogP1.97
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-heptadecylsulfinylheptadecane
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tetradecanamide
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nonacosanamide
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tetrapentacontanamide
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octadecanamide;hydrochloride
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octadecanamide;zinc
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butane;octanamide
CID 87511414
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
acetamide;decanamide;dihydrochloride
CID 141131942
tetradecylsulfinylmethanol
CID 88782233

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-octylsulfinyl]propanamide?
The IUPAC name of 3-[(S)-octylsulfinyl]propanamide (CID 98083877) is 3-[(S)-octylsulfinyl]propanamide.
What is the SMILES notation for 3-[(S)-octylsulfinyl]propanamide?
The canonical SMILES for 3-[(S)-octylsulfinyl]propanamide is CCCCCCCC[S@](=O)CCC(N)=O.
What is the InChIKey of 3-[(S)-octylsulfinyl]propanamide?
The InChIKey is SRQJRNJELZQTQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-3-4-5-6-7-9-15(14)10-8-11(12)13/h2-10H2,1H3,(H2,12,13)/t15-/m0/s1.
What are the key properties of 3-[(S)-octylsulfinyl]propanamide?
3-[(S)-octylsulfinyl]propanamide has a molecular weight of 233.38 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-octylsulfinyl]propanamide is sourced from PubChem (CID 98083877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).