1-(1-pentylsulfonylethenylsulfanyl)pentane

C12H24O2S2 — CID 173290017

IUPAC1-(1-pentylsulfonylethenylsulfanyl)pentane
SMILESC=C(SCCCCC)S(=O)(=O)CCCCC
InChIInChI=1S/C12H24O2S2/c1-4-6-8-10-15-12(3)16(13,14)11-9-7-5-2/h3-11H2,1-2H3
InChIKeyOFQHAYNCGGTWBB-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.99
Rot. Bonds10

About 1-(1-pentylsulfonylethenylsulfanyl)pentane

1-(1-pentylsulfonylethenylsulfanyl)pentane (PubChem CID 173290017) has the molecular formula C12H24O2S2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(1-pentylsulfonylethenylsulfanyl)pentane.

Molecular Properties

Compound Name1-(1-pentylsulfonylethenylsulfanyl)pentane
PubChem CID173290017
Molecular FormulaC12H24O2S2
Molecular Weight264.46 g/mol
Exact Mass264.12
IUPAC Name1-(1-pentylsulfonylethenylsulfanyl)pentane
SMILESC=C(SCCCCC)S(=O)(=O)CCCCC
InChIInChI=1S/C12H24O2S2/c1-4-6-8-10-15-12(3)16(13,14)11-9-7-5-2/h3-11H2,1-2H3
InChIKeyOFQHAYNCGGTWBB-UHFFFAOYSA-N
XLogP3.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-pentylsulfonylethenylsulfanyl)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentylsulfanylsulfonylhexane
CID 89211517
1-hexylsulfonylsulfanylhexane
CID 13183990
2,3-bis(butylsulfanyl)buta-1,3-diene
CID 87361196
S-heptadecyl ethanethioate
CID 540884
undecylsulfanylformic acid
CID 140960974
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
1-prop-1-en-2-ylsulfanylbutane
CID 88558402
gold;pentane-1-sulfonic acid
CID 174800543
decane-1-sulfonic acid
CID 157391186
S-hexyl prop-2-enethioate
CID 57039086
1-sulfosulfanyldodecane
CID 10357698

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentylsulfonylethenylsulfanyl)pentane?
The IUPAC name of 1-(1-pentylsulfonylethenylsulfanyl)pentane (CID 173290017) is 1-(1-pentylsulfonylethenylsulfanyl)pentane.
What is the SMILES notation for 1-(1-pentylsulfonylethenylsulfanyl)pentane?
The canonical SMILES for 1-(1-pentylsulfonylethenylsulfanyl)pentane is C=C(SCCCCC)S(=O)(=O)CCCCC.
What is the InChIKey of 1-(1-pentylsulfonylethenylsulfanyl)pentane?
The InChIKey is OFQHAYNCGGTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S2/c1-4-6-8-10-15-12(3)16(13,14)11-9-7-5-2/h3-11H2,1-2H3.
What are the key properties of 1-(1-pentylsulfonylethenylsulfanyl)pentane?
1-(1-pentylsulfonylethenylsulfanyl)pentane has a molecular weight of 264.46 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylsulfonylethenylsulfanyl)pentane is sourced from PubChem (CID 173290017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).