1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine

C8H19NO4S2 — CID 81189829

IUPAC1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCS(=O)(=O)CC(C)(C)N
InChIInChI=1S/C8H19NO4S2/c1-4-14(10,11)5-6-15(12,13)7-8(2,3)9/h4-7,9H2,1-3H3
InChIKeyDXJSNAUXRBIOPZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.43
Rot. Bonds6

About 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine

1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine (PubChem CID 81189829) has the molecular formula C8H19NO4S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine
PubChem CID81189829
Molecular FormulaC8H19NO4S2
Molecular Weight257.38 g/mol
Exact Mass257.08
IUPAC Name1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCS(=O)(=O)CC(C)(C)N
InChIInChI=1S/C8H19NO4S2/c1-4-14(10,11)5-6-15(12,13)7-8(2,3)9/h4-7,9H2,1-3H3
InChIKeyDXJSNAUXRBIOPZ-UHFFFAOYSA-N
XLogP-0.43
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine (CID 81189829) is 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine is CCS(=O)(=O)CCS(=O)(=O)CC(C)(C)N.
What is the InChIKey of 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine?
The InChIKey is DXJSNAUXRBIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S2/c1-4-14(10,11)5-6-15(12,13)7-8(2,3)9/h4-7,9H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine?
1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine has a molecular weight of 257.38 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine is sourced from PubChem (CID 81189829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).