2-(2-tert-butylsulfonylethylsulfinyl)ethanamine

C8H19NO3S2 — CID 106735658

IUPAC2-(2-tert-butylsulfonylethylsulfinyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCS(=O)CCN
InChIInChI=1S/C8H19NO3S2/c1-8(2,3)14(11,12)7-6-13(10)5-4-9/h4-7,9H2,1-3H3
InChIKeyTYYZLWQRFOHVCK-UHFFFAOYSA-N
MW241.38 g/mol
LogP-0.09
Rot. Bonds5

About 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine

2-(2-tert-butylsulfonylethylsulfinyl)ethanamine (PubChem CID 106735658) has the molecular formula C8H19NO3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylsulfinyl)ethanamine
PubChem CID106735658
Molecular FormulaC8H19NO3S2
Molecular Weight241.38 g/mol
Exact Mass241.08
IUPAC Name2-(2-tert-butylsulfonylethylsulfinyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCS(=O)CCN
InChIInChI=1S/C8H19NO3S2/c1-8(2,3)14(11,12)7-6-13(10)5-4-9/h4-7,9H2,1-3H3
InChIKeyTYYZLWQRFOHVCK-UHFFFAOYSA-N
XLogP-0.09
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propylsulfonylethylsulfinyl)ethanamine
CID 106735657
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
CID 106735655
4-(2-tert-butylsulfonylethylsulfinyl)-3,5-difluoroaniline
CID 106728965
2-(2-tert-butylsulfonylethylsulfinyl)propanoic acid
CID 106728522
3-(2-tert-butylsulfonylethylsulfinyl)butanoic acid
CID 106728544
3-(2-tert-butylsulfonylethylsulfinyl)-2-methylaniline
CID 106735746
2-(2-iodoethylsulfonyl)-2-methylpropane
CID 106732671
2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
CID 106729780
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid
CID 106736073
6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile
CID 106714842
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)pentan-1-amine
CID 81328173

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine?
The IUPAC name of 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine (CID 106735658) is 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine?
The canonical SMILES for 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine is CC(C)(C)S(=O)(=O)CCS(=O)CCN.
What is the InChIKey of 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine?
The InChIKey is TYYZLWQRFOHVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S2/c1-8(2,3)14(11,12)7-6-13(10)5-4-9/h4-7,9H2,1-3H3.
What are the key properties of 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine?
2-(2-tert-butylsulfonylethylsulfinyl)ethanamine has a molecular weight of 241.38 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylsulfinyl)ethanamine is sourced from PubChem (CID 106735658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).