2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

C10H21NO4S — CID 104760821

IUPAC2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCC1(OC)CCOC1
InChIInChI=1S/C10H21NO4S/c1-3-16(12,13)7-5-11-8-10(14-2)4-6-15-9-10/h11H,3-9H2,1-2H3
InChIKeyINSULCVGKPJSIP-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.18
Rot. Bonds7

About 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (PubChem CID 104760821) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
PubChem CID104760821
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCC1(OC)CCOC1
InChIInChI=1S/C10H21NO4S/c1-3-16(12,13)7-5-11-8-10(14-2)4-6-15-9-10/h11H,3-9H2,1-2H3
InChIKeyINSULCVGKPJSIP-UHFFFAOYSA-N
XLogP-0.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
CID 104760902
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
CID 104760742
4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol
CID 104760933
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
N-[(3-methoxyoxolan-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 104760689
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 104760831
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
CID 107899239
ethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanoate
CID 104760859
(3-methoxyoxolan-3-yl)methylurea
CID 104704481

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (CID 104760821) is 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is CCS(=O)(=O)CCNCC1(OC)CCOC1.
What is the InChIKey of 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The InChIKey is INSULCVGKPJSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-16(12,13)7-5-11-8-10(14-2)4-6-15-9-10/h11H,3-9H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine has a molecular weight of 251.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104760821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).