1-propylsulfonylpropane

C6H14O2S — CID 11709

IUPAC1-propylsulfonylpropane
SMILESCCCS(=O)(=O)CCC
InChIInChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3
InChIKeyJEXYCADTAFPULN-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.22
Rot. Bonds4

About 1-propylsulfonylpropane

1-propylsulfonylpropane (PubChem CID 11709) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 1-propylsulfonylpropane.

Molecular Properties

Compound Name1-propylsulfonylpropane
PubChem CID11709
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name1-propylsulfonylpropane
SMILESCCCS(=O)(=O)CCC
InChIInChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3
InChIKeyJEXYCADTAFPULN-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylsulfonylethanamine;hydrochloride
CID 87608994
trifluoro(2-propylsulfonylethyl)boranuide
CID 106731494
2-propylsulfonylethylboronic acid
CID 106731489
1-prop-2-ynylsulfonylpropane
CID 82369012
1-bromo-2-methyl-4-propylsulfonylbutane
CID 106734589
N-(2-propylsulfonylethyl)acetamide
CID 142065321
6-propylsulfonylhexan-3-one
CID 106727029
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
2-(2-propylsulfonylethylsulfinyl)ethanamine
CID 106735657
4-chloro-3-methyl-1-propylsulfonylpentane
CID 106729085
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
1-octylsulfonylnonane
CID 19089492

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylpropane?
The IUPAC name of 1-propylsulfonylpropane (CID 11709) is 1-propylsulfonylpropane.
What is the SMILES notation for 1-propylsulfonylpropane?
The canonical SMILES for 1-propylsulfonylpropane is CCCS(=O)(=O)CCC.
What is the InChIKey of 1-propylsulfonylpropane?
The InChIKey is JEXYCADTAFPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-propylsulfonylpropane?
1-propylsulfonylpropane has a molecular weight of 150.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylpropane is sourced from PubChem (CID 11709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).