3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine

C8H19NO4S — CID 82721655

IUPAC3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine
SMILESCCS(=O)(=O)CCCNOCCOC
InChIInChI=1S/C8H19NO4S/c1-3-14(10,11)8-4-5-9-13-7-6-12-2/h9H,3-8H2,1-2H3
InChIKeyFICQKTQEZDVGPR-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.02
Rot. Bonds9

About 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine

3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine (PubChem CID 82721655) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine
PubChem CID82721655
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Name3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine
SMILESCCS(=O)(=O)CCCNOCCOC
InChIInChI=1S/C8H19NO4S/c1-3-14(10,11)8-4-5-9-13-7-6-12-2/h9H,3-8H2,1-2H3
InChIKeyFICQKTQEZDVGPR-UHFFFAOYSA-N
XLogP-0.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
3-(3-methoxypropylsulfonyl)-N-methylpropan-1-amine
CID 64675855
2-methoxy-N-(2-methoxyethoxy)ethanamine
CID 82723121
2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide
CID 113407022
N'-(2-methoxyethoxy)ethane-1,2-diamine
CID 130589028
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
CID 66001894
N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
CID 114032839
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
1-(3-ethylsulfonylpropylamino)-3-methoxypropan-2-ol
CID 65093219
N-(2-methoxyethoxy)ethanesulfonamide
CID 82714483
N-(2-methoxyethoxy)-3-methylbutan-1-amine
CID 82711034

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine (CID 82721655) is 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine is CCS(=O)(=O)CCCNOCCOC.
What is the InChIKey of 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine?
The InChIKey is FICQKTQEZDVGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-3-14(10,11)8-4-5-9-13-7-6-12-2/h9H,3-8H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine?
3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine has a molecular weight of 225.31 g/mol, XLogP of -0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 82721655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).