2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine

C12H27NO3S — CID 106729989

IUPAC2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(CC)CNCCOC
InChIInChI=1S/C12H27NO3S/c1-4-9-17(14,15)10-6-12(5-2)11-13-7-8-16-3/h12-13H,4-11H2,1-3H3
InChIKeyIROYPVYUDAANDR-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.46
Rot. Bonds11

About 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine

2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine (PubChem CID 106729989) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine
PubChem CID106729989
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(CC)CNCCOC
InChIInChI=1S/C12H27NO3S/c1-4-9-17(14,15)10-6-12(5-2)11-13-7-8-16-3/h12-13H,4-11H2,1-3H3
InChIKeyIROYPVYUDAANDR-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
CID 65097077
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
2-ethyl-4-propylsulfonylbutan-1-amine
CID 106729541
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
3-ethyl-1-(3-ethylheptylsulfonyl)heptane
CID 57030599
2-ethyl-N-[2-(2-methylsulfonylethoxy)ethyl]butan-1-amine
CID 115756976
2-ethyl-N-(2-methoxyethyl)-5-phenoxypentan-1-amine
CID 62936301
N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638
N-(2-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
2-(2-bromophenyl)-4-ethylsulfonyl-N-(2-methoxyethyl)butan-1-amine
CID 79436776
2-methoxy-N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82423472

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine (CID 106729989) is 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine is CCCS(=O)(=O)CCC(CC)CNCCOC.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine?
The InChIKey is IROYPVYUDAANDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-4-9-17(14,15)10-6-12(5-2)11-13-7-8-16-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine?
2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 1.46, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine is sourced from PubChem (CID 106729989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).