2-(2-tert-butylsulfonylethylsulfonyl)ethanamine

C8H19NO4S2 — CID 106735655

IUPAC2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCS(=O)(=O)CCN
InChIInChI=1S/C8H19NO4S2/c1-8(2,3)15(12,13)7-6-14(10,11)5-4-9/h4-7,9H2,1-3H3
InChIKeyYSWSDJFEHLHWNG-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.43
Rot. Bonds5

About 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine

2-(2-tert-butylsulfonylethylsulfonyl)ethanamine (PubChem CID 106735655) has the molecular formula C8H19NO4S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
PubChem CID106735655
Molecular FormulaC8H19NO4S2
Molecular Weight257.38 g/mol
Exact Mass257.08
IUPAC Name2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCS(=O)(=O)CCN
InChIInChI=1S/C8H19NO4S2/c1-8(2,3)15(12,13)7-6-14(10,11)5-4-9/h4-7,9H2,1-3H3
InChIKeyYSWSDJFEHLHWNG-UHFFFAOYSA-N
XLogP-0.43
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine 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

2-(2-aminoethylsulfonyl)ethanamine;hydrochloride
CID 131728699
2-(2-tert-butylsulfonylethylsulfinyl)ethanamine
CID 106735658
2-propylsulfonylethanamine;hydrochloride
CID 87608994
4-(2-aminoethylsulfonyl)-2,2-dimethylbutanenitrile
CID 81174211
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
N-[2-(2-aminoethylsulfonyl)ethyl]-3,3-dimethylbutanamide
CID 168740666
2-(2-ethoxyethylsulfonyl)ethanamine
CID 58684809
2-(2-aminoethylsulfonyl)-2-methylpropanoic acid
CID 82180040
2-(2,2,2-trifluoroethylsulfonyl)ethanamine
CID 58685127

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine?
The IUPAC name of 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine (CID 106735655) is 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine?
The canonical SMILES for 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine is CC(C)(C)S(=O)(=O)CCS(=O)(=O)CCN.
What is the InChIKey of 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine?
The InChIKey is YSWSDJFEHLHWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S2/c1-8(2,3)15(12,13)7-6-14(10,11)5-4-9/h4-7,9H2,1-3H3.
What are the key properties of 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine?
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylsulfonyl)ethanamine is sourced from PubChem (CID 106735655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).