2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine

C16H35NO3S — CID 106729932

IUPAC2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
SMILESCCCCC(CC)(CCS(=O)(=O)C(C)C)CNCCOC
InChIInChI=1S/C16H35NO3S/c1-6-8-9-16(7-2,14-17-11-12-20-5)10-13-21(18,19)15(3)4/h15,17H,6-14H2,1-5H3
InChIKeyMCEPADZFJYBJJC-UHFFFAOYSA-N
MW321.53 g/mol
LogP3.02
Rot. Bonds13

About 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine

2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine (PubChem CID 106729932) has the molecular formula C16H35NO3S and a molecular weight of 321.53 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
PubChem CID106729932
Molecular FormulaC16H35NO3S
Molecular Weight321.53 g/mol
Exact Mass321.23
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
SMILESCCCCC(CC)(CCS(=O)(=O)C(C)C)CNCCOC
InChIInChI=1S/C16H35NO3S/c1-6-8-9-16(7-2,14-17-11-12-20-5)10-13-21(18,19)15(3)4/h15,17H,6-14H2,1-5H3
InChIKeyMCEPADZFJYBJJC-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 53.02
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-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 65178147
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730333
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2-ethyl-N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 63508272
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
2-ethyl-N-(2-methoxyethyl)-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165599
2-ethyl-N-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]hexan-1-amine
CID 63508441

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine (CID 106729932) is 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine is CCCCC(CC)(CCS(=O)(=O)C(C)C)CNCCOC.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine?
The InChIKey is MCEPADZFJYBJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3S/c1-6-8-9-16(7-2,14-17-11-12-20-5)10-13-21(18,19)15(3)4/h15,17H,6-14H2,1-5H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine has a molecular weight of 321.53 g/mol, XLogP of 3.02, 13 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)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine is sourced from PubChem (CID 106729932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).