N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine

C12H27NO3S — CID 55091320

IUPACN-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCCOC)S(C)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-5-7-12(8-6-2,17(4,14)15)11-13-9-10-16-3/h13H,5-11H2,1-4H3
InChIKeyKHDNVYIAWUYVJK-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.61
Rot. Bonds10

About N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine

N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine (PubChem CID 55091320) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine
PubChem CID55091320
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCCOC)S(C)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-5-7-12(8-6-2,17(4,14)15)11-13-9-10-16-3/h13H,5-11H2,1-4H3
InChIKeyKHDNVYIAWUYVJK-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.61
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

N-methyl-2-methylsulfonyl-2-propylpentan-1-amine
CID 62595292
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
CID 55196240
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79551937
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
2-ethoxy-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 114941725
2-(2-methoxyethylamino)-N-(2-methylpentan-2-yl)acetamide
CID 115738896
N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103179174
4-ethyl-N-(2-methoxyethyl)-2-methyl-2-propylhexan-1-amine
CID 82929981
2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 106729932
N-(2-methoxyethyl)-N'-(2-methoxy-2-methylpropyl)ethane-1,2-diamine
CID 103019907

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine (CID 55091320) is N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine is CCCC(CCC)(CNCCOC)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine?
The InChIKey is KHDNVYIAWUYVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-5-7-12(8-6-2,17(4,14)15)11-13-9-10-16-3/h13H,5-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine?
N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine is sourced from PubChem (CID 55091320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).