1-[(S)-propan-2-ylsulfinyl]decane

C13H28OS — CID 10955441

IUPAC1-[(S)-propan-2-ylsulfinyl]decane
SMILESCCCCCCCCCC[S@](=O)C(C)C
InChIInChI=1S/C13H28OS/c1-4-5-6-7-8-9-10-11-12-15(14)13(2)3/h13H,4-12H2,1-3H3/t15-/m0/s1
InChIKeyBWRABMMEIFVMFS-HNNXBMFYSA-N
MW232.43 g/mol
LogP4.28
Rot. Bonds10

About 1-[(S)-propan-2-ylsulfinyl]decane

1-[(S)-propan-2-ylsulfinyl]decane (PubChem CID 10955441) has the molecular formula C13H28OS and a molecular weight of 232.43 g/mol. Its IUPAC name is 1-[(S)-propan-2-ylsulfinyl]decane.

Molecular Properties

Compound Name1-[(S)-propan-2-ylsulfinyl]decane
PubChem CID10955441
Molecular FormulaC13H28OS
Molecular Weight232.43 g/mol
Exact Mass232.19
IUPAC Name1-[(S)-propan-2-ylsulfinyl]decane
SMILESCCCCCCCCCC[S@](=O)C(C)C
InChIInChI=1S/C13H28OS/c1-4-5-6-7-8-9-10-11-12-15(14)13(2)3/h13H,4-12H2,1-3H3/t15-/m0/s1
InChIKeyBWRABMMEIFVMFS-HNNXBMFYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-heptylsulfinylpropan-1-amine
CID 81186656
2-nonylsulfinylpropan-1-amine
CID 81187131
2-pentylsulfinylpropan-1-amine
CID 81186667
3-methyl-2-nonylsulfinylbutanoic acid
CID 105355808
3-octylsulfinylbutanoic acid
CID 66114161
3-tridecylsulfinyldecan-2-ol
CID 173314811
3-propan-2-ylsulfinyl-N-propylpropan-1-amine
CID 64654588
1-heptadecylsulfinylheptadecane
CID 54059826
1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane
CID 102006897
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
2-octylsulfinylbutanoic acid
CID 105355416

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-propan-2-ylsulfinyl]decane?
The IUPAC name of 1-[(S)-propan-2-ylsulfinyl]decane (CID 10955441) is 1-[(S)-propan-2-ylsulfinyl]decane.
What is the SMILES notation for 1-[(S)-propan-2-ylsulfinyl]decane?
The canonical SMILES for 1-[(S)-propan-2-ylsulfinyl]decane is CCCCCCCCCC[S@](=O)C(C)C.
What is the InChIKey of 1-[(S)-propan-2-ylsulfinyl]decane?
The InChIKey is BWRABMMEIFVMFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C13H28OS/c1-4-5-6-7-8-9-10-11-12-15(14)13(2)3/h13H,4-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(S)-propan-2-ylsulfinyl]decane?
1-[(S)-propan-2-ylsulfinyl]decane has a molecular weight of 232.43 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-propan-2-ylsulfinyl]decane is sourced from PubChem (CID 10955441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).