2-(2-propylsulfonylethylsulfinyl)ethanamine

C7H17NO3S2 — CID 106735657

IUPAC2-(2-propylsulfonylethylsulfinyl)ethanamine
SMILESCCCS(=O)(=O)CCS(=O)CCN
InChIInChI=1S/C7H17NO3S2/c1-2-6-13(10,11)7-5-12(9)4-3-8/h2-8H2,1H3
InChIKeyWMQHYRKVQLUWNX-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.48
Rot. Bonds7

About 2-(2-propylsulfonylethylsulfinyl)ethanamine

2-(2-propylsulfonylethylsulfinyl)ethanamine (PubChem CID 106735657) has the molecular formula C7H17NO3S2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(2-propylsulfonylethylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(2-propylsulfonylethylsulfinyl)ethanamine
PubChem CID106735657
Molecular FormulaC7H17NO3S2
Molecular Weight227.35 g/mol
Exact Mass227.06
IUPAC Name2-(2-propylsulfonylethylsulfinyl)ethanamine
SMILESCCCS(=O)(=O)CCS(=O)CCN
InChIInChI=1S/C7H17NO3S2/c1-2-6-13(10,11)7-5-12(9)4-3-8/h2-8H2,1H3
InChIKeyWMQHYRKVQLUWNX-UHFFFAOYSA-N
XLogP-0.48
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylsulfonylethanamine;hydrochloride
CID 87608994
1-propylsulfonylpropane
CID 11709
2-(2-tert-butylsulfonylethylsulfinyl)ethanamine
CID 106735658
2-methyl-2-(2-propylsulfonylethylsulfinyl)propanoic acid
CID 106728557
3-[(R)-propylsulfinyl]propan-1-amine
CID 88509307
3-butylsulfonylpropan-1-amine
CID 43615632
3-propylsulfinylpropan-1-amine
CID 58684721
N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
CID 106722606
6-amino-1-propylsulfonylhexan-3-one
CID 106736174
CID 126574598
CID 126574598
1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene
CID 106732610
2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol
CID 101405173

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonylethylsulfinyl)ethanamine?
The IUPAC name of 2-(2-propylsulfonylethylsulfinyl)ethanamine (CID 106735657) is 2-(2-propylsulfonylethylsulfinyl)ethanamine.
What is the SMILES notation for 2-(2-propylsulfonylethylsulfinyl)ethanamine?
The canonical SMILES for 2-(2-propylsulfonylethylsulfinyl)ethanamine is CCCS(=O)(=O)CCS(=O)CCN.
What is the InChIKey of 2-(2-propylsulfonylethylsulfinyl)ethanamine?
The InChIKey is WMQHYRKVQLUWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S2/c1-2-6-13(10,11)7-5-12(9)4-3-8/h2-8H2,1H3.
What are the key properties of 2-(2-propylsulfonylethylsulfinyl)ethanamine?
2-(2-propylsulfonylethylsulfinyl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of -0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonylethylsulfinyl)ethanamine is sourced from PubChem (CID 106735657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).