N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine

C11H23NO3S — CID 71930698

IUPACN-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CCS(=O)(=O)CC)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-3-12(7-9-16(13,14)4-2)10-11-6-5-8-15-11/h11H,3-10H2,1-2H3
InChIKeyKBHUKNUJBWVYKN-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.92
Rot. Bonds7

About N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine

N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 71930698) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID71930698
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CCS(=O)(=O)CC)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-3-12(7-9-16(13,14)4-2)10-11-6-5-8-15-11/h11H,3-10H2,1-2H3
InChIKeyKBHUKNUJBWVYKN-UHFFFAOYSA-N
XLogP0.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine (CID 71930698) is N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine is CCN(CCS(=O)(=O)CC)CC1CCCO1.
What is the InChIKey of N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is KBHUKNUJBWVYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-12(7-9-16(13,14)4-2)10-11-6-5-8-15-11/h11H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine?
N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 249.38 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 71930698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).