2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine

C11H23NO5S2 — CID 71208616

IUPAC2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCN(CCS(C)(=O)=O)CC1CCCO1
InChIInChI=1S/C11H23NO5S2/c1-18(13,14)8-5-12(6-9-19(2,15)16)10-11-4-3-7-17-11/h11H,3-10H2,1-2H3
InChIKeyZVEWCEPIMRSLPA-UHFFFAOYSA-N
MW313.44 g/mol
LogP-0.44
Rot. Bonds8

About 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine

2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 71208616) has the molecular formula C11H23NO5S2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID71208616
Molecular FormulaC11H23NO5S2
Molecular Weight313.44 g/mol
Exact Mass313.10
IUPAC Name2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCN(CCS(C)(=O)=O)CC1CCCO1
InChIInChI=1S/C11H23NO5S2/c1-18(13,14)8-5-12(6-9-19(2,15)16)10-11-4-3-7-17-11/h11H,3-10H2,1-2H3
InChIKeyZVEWCEPIMRSLPA-UHFFFAOYSA-N
XLogP-0.44
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 71208616) is 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine is CS(=O)(=O)CCN(CCS(C)(=O)=O)CC1CCCO1.
What is the InChIKey of 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is ZVEWCEPIMRSLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S2/c1-18(13,14)8-5-12(6-9-19(2,15)16)10-11-4-3-7-17-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine?
2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 313.44 g/mol, XLogP of -0.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 71208616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).