8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine

C15H33NO2S — CID 65097308

IUPAC8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine
SMILESCCCNC(CCCCCS(=O)(=O)CC)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-6-12-16-14(15(3,4)5)11-9-8-10-13-19(17,18)7-2/h14,16H,6-13H2,1-5H3
InChIKeyFEQJEFJAXRRTKG-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.40
Rot. Bonds10

About 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine

8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine (PubChem CID 65097308) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine
PubChem CID65097308
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC Name8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine
SMILESCCCNC(CCCCCS(=O)(=O)CC)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-6-12-16-14(15(3,4)5)11-9-8-10-13-19(17,18)7-2/h14,16H,6-13H2,1-5H3
InChIKeyFEQJEFJAXRRTKG-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
2-methyl-N-propyl-7-propylsulfonylheptan-3-amine
CID 106732296
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
N,3,3-trimethyl-1-pentylsulfonylbutan-2-amine
CID 107758506
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
CID 103027266
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
1,6-bis(ethylsulfonyl)hexane
CID 54565943
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096
N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine
CID 115647762
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine?
The IUPAC name of 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine (CID 65097308) is 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine.
What is the SMILES notation for 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine?
The canonical SMILES for 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine is CCCNC(CCCCCS(=O)(=O)CC)C(C)(C)C.
What is the InChIKey of 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine?
The InChIKey is FEQJEFJAXRRTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-6-12-16-14(15(3,4)5)11-9-8-10-13-19(17,18)7-2/h14,16H,6-13H2,1-5H3.
What are the key properties of 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine?
8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine has a molecular weight of 291.50 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine is sourced from PubChem (CID 65097308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).