2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine

C12H27NO3S — CID 65097077

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

About 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine

2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 65097077) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
PubChem CID65097077
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
SMILESCCC(CCCS(=O)(=O)CC)CNCCOC
InChIInChI=1S/C12H27NO3S/c1-4-12(11-13-8-9-16-3)7-6-10-17(14,15)5-2/h12-13H,4-11H2,1-3H3
InChIKeyDRMCULNDLTYNFG-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-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine
CID 106729989
N,2-diethyl-5-ethylsulfonylpentan-1-amine
CID 65097608
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65430810
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
2-ethyl-N-(2-methoxyethyl)-5-phenoxypentan-1-amine
CID 62936301
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
1-(3-ethylsulfonylpropylamino)-3-methoxypropan-2-ol
CID 65093219
N-(2-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
2-ethyl-N-[2-(2-methylsulfonylethoxy)ethyl]butan-1-amine
CID 115756976
N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine (CID 65097077) is 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine is CCC(CCCS(=O)(=O)CC)CNCCOC.
What is the InChIKey of 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is DRMCULNDLTYNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-4-12(11-13-8-9-16-3)7-6-10-17(14,15)5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine?
2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-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-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 65097077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).