(3S)-3-dodecylsulfanylthiolane 1,1-dioxide

C16H32O2S2 — CID 98143387

IUPAC(3S)-3-dodecylsulfanylthiolane 1,1-dioxide
SMILESCCCCCCCCCCCCS[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H32O2S2/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-12-14-20(17,18)15-16/h16H,2-15H2,1H3/t16-/m0/s1
InChIKeyZYABPBGMFZPRAG-INIZCTEOSA-N
MW320.56 g/mol
LogP4.83
Rot. Bonds12

About (3S)-3-dodecylsulfanylthiolane 1,1-dioxide

(3S)-3-dodecylsulfanylthiolane 1,1-dioxide (PubChem CID 98143387) has the molecular formula C16H32O2S2 and a molecular weight of 320.56 g/mol. Its IUPAC name is (3S)-3-dodecylsulfanylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-dodecylsulfanylthiolane 1,1-dioxide
PubChem CID98143387
Molecular FormulaC16H32O2S2
Molecular Weight320.56 g/mol
Exact Mass320.18
IUPAC Name(3S)-3-dodecylsulfanylthiolane 1,1-dioxide
SMILESCCCCCCCCCCCCS[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H32O2S2/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-12-14-20(17,18)15-16/h16H,2-15H2,1H3/t16-/m0/s1
InChIKeyZYABPBGMFZPRAG-INIZCTEOSA-N
XLogP4.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Di-n-octyl Sulfone
CID 3798558
Ethane, 1,2-bis(decylsulfonyl)-
CID 52860
(3S,4S)-3,4-bis((R)-hexylsulfinyl)tetrahydrothiophene 1,1-dioxide
CID 657958
Thiophene, tetrahydro-3-(octylsulfinyl)-, 1,1-dioxide
CID 3713404
1-(2-Ethylsulfinylethylsulfinyl)dodecane
CID 53306224
Butane, 1,4-bis(decylsulfonyl)-
CID 52401
Ethane, 1,2-bis(hexadecylsulfonyl)-
CID 52834
Ethane, 1,2-bis(tetradecylsulfonyl)-
CID 52835
Ethane, 1,2-bis(dodecylsulfonyl)-
CID 52857
Pentane, 1,5-bis(decylsulfonyl)-
CID 208887
1-Ethylsulfonyldodecane
CID 458306
2-n-Hexylthiolane, S,S-dioxide
CID 543858

Frequently Asked Questions

What is the IUPAC name of (3S)-3-dodecylsulfanylthiolane 1,1-dioxide?
The IUPAC name of (3S)-3-dodecylsulfanylthiolane 1,1-dioxide (CID 98143387) is (3S)-3-dodecylsulfanylthiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-dodecylsulfanylthiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-dodecylsulfanylthiolane 1,1-dioxide is CCCCCCCCCCCCS[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-3-dodecylsulfanylthiolane 1,1-dioxide?
The InChIKey is ZYABPBGMFZPRAG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32O2S2/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-12-14-20(17,18)15-16/h16H,2-15H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-dodecylsulfanylthiolane 1,1-dioxide?
(3S)-3-dodecylsulfanylthiolane 1,1-dioxide has a molecular weight of 320.56 g/mol, XLogP of 4.83, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-dodecylsulfanylthiolane 1,1-dioxide is sourced from PubChem (CID 98143387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).