2-(2-butylsulfonylethylsulfanyl)pyridine

C11H17NO2S2 — CID 45490179

IUPAC2-(2-butylsulfonylethylsulfanyl)pyridine
SMILESCCCCS(=O)(=O)CCSc1ccccn1
InChIInChI=1S/C11H17NO2S2/c1-2-3-9-16(13,14)10-8-15-11-6-4-5-7-12-11/h4-7H,2-3,8-10H2,1H3
InChIKeyKMRHUZPIEDLDNM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.39
Rot. Bonds7

About 2-(2-butylsulfonylethylsulfanyl)pyridine

2-(2-butylsulfonylethylsulfanyl)pyridine (PubChem CID 45490179) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(2-butylsulfonylethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(2-butylsulfonylethylsulfanyl)pyridine
PubChem CID45490179
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name2-(2-butylsulfonylethylsulfanyl)pyridine
SMILESCCCCS(=O)(=O)CCSc1ccccn1
InChIInChI=1S/C11H17NO2S2/c1-2-3-9-16(13,14)10-8-15-11-6-4-5-7-12-11/h4-7H,2-3,8-10H2,1H3
InChIKeyKMRHUZPIEDLDNM-UHFFFAOYSA-N
XLogP2.39
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-pyridin-2-ylsulfanylbutylsulfonyl)butylsulfanyl]pyridine
CID 56631475
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
oxo(3-pyridin-2-ylsulfanylpropyl)phosphanium
CID 175332241
2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
CID 56616691
2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
CID 142063341
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
ethyl 4-pyridin-2-ylsulfanylbutanoate
CID 66684876
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
6-pyridin-2-ylsulfanylhexan-1-amine
CID 15227692
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylsulfonylethylsulfanyl)pyridine?
The IUPAC name of 2-(2-butylsulfonylethylsulfanyl)pyridine (CID 45490179) is 2-(2-butylsulfonylethylsulfanyl)pyridine.
What is the SMILES notation for 2-(2-butylsulfonylethylsulfanyl)pyridine?
The canonical SMILES for 2-(2-butylsulfonylethylsulfanyl)pyridine is CCCCS(=O)(=O)CCSc1ccccn1.
What is the InChIKey of 2-(2-butylsulfonylethylsulfanyl)pyridine?
The InChIKey is KMRHUZPIEDLDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-2-3-9-16(13,14)10-8-15-11-6-4-5-7-12-11/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 2-(2-butylsulfonylethylsulfanyl)pyridine?
2-(2-butylsulfonylethylsulfanyl)pyridine has a molecular weight of 259.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylsulfonylethylsulfanyl)pyridine is sourced from PubChem (CID 45490179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).