4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine

C11H25NO3S — CID 62726162

IUPAC4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
SMILESCCS(=O)(=O)CCC(C)(C)CNCCOC
InChIInChI=1S/C11H25NO3S/c1-5-16(13,14)9-6-11(2,3)10-12-7-8-15-4/h12H,5-10H2,1-4H3
InChIKeyICENAVADRSBWLV-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.07
Rot. Bonds9

About 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine

4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine (PubChem CID 62726162) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
PubChem CID62726162
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
SMILESCCS(=O)(=O)CCC(C)(C)CNCCOC
InChIInChI=1S/C11H25NO3S/c1-5-16(13,14)9-6-11(2,3)10-12-7-8-15-4/h12H,5-10H2,1-4H3
InChIKeyICENAVADRSBWLV-UHFFFAOYSA-N
XLogP1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.07
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

4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
CID 62724939
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
CID 66001894
N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine
CID 62725752
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808
4-chloro-N-(3-ethylsulfonylpropyl)-2,2-dimethylbutan-1-amine
CID 106140512
N-(2-methoxyethyl)-2-methylsulfonyl-2-propylpentan-1-amine
CID 55091320
N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
CID 104624458

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine (CID 62726162) is 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine is CCS(=O)(=O)CCC(C)(C)CNCCOC.
What is the InChIKey of 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine?
The InChIKey is ICENAVADRSBWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-16(13,14)9-6-11(2,3)10-12-7-8-15-4/h12H,5-10H2,1-4H3.
What are the key properties of 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine?
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 1.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 62726162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).