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

C10H23NO4S — CID 79551937

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOCCOCCNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H23NO4S/c1-10(2,16(4,12)13)9-11-5-6-15-8-7-14-3/h11H,5-9H2,1-4H3
InChIKeyKVQGPSZFXUKPJX-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.06
Rot. Bonds9

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

N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 79551937) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID79551937
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOCCOCCNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H23NO4S/c1-10(2,16(4,12)13)9-11-5-6-15-8-7-14-3/h11H,5-9H2,1-4H3
InChIKeyKVQGPSZFXUKPJX-UHFFFAOYSA-N
XLogP0.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.06
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-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103179174
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692
methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol
CID 79551403
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
CID 106176837

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 79551937) is N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine is COCCOCCNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is KVQGPSZFXUKPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-10(2,16(4,12)13)9-11-5-6-15-8-7-14-3/h11H,5-9H2,1-4H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79551937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).