N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine

C11H25NO4S — CID 103179174

IUPACN-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOCCCOCCNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-11(2,17(4,13)14)10-12-6-9-16-8-5-7-15-3/h12H,5-10H2,1-4H3
InChIKeyPWAARNKQEFOQKI-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.45
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 103179174) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID103179174
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOCCCOCCNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-11(2,17(4,13)14)10-12-6-9-16-8-5-7-15-3/h12H,5-10H2,1-4H3
InChIKeyPWAARNKQEFOQKI-UHFFFAOYSA-N
XLogP0.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.45
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-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79551937
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpropan-2-ol
CID 103179086
4-chloro-N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylbutan-1-amine
CID 106140042
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 62566842
1-methoxy-N-[2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 103179461
2-[2-(3-methoxypropoxy)ethylamino]-N-methylacetamide
CID 103178535
N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63859852
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 103179451

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 103179174) is N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine is COCCCOCCNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is PWAARNKQEFOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-11(2,17(4,13)14)10-12-6-9-16-8-5-7-15-3/h12H,5-10H2,1-4H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 0.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 103179174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).