6-ethylsulfonyl-2-methylhexan-1-amine

C9H21NO2S — CID 65097363

IUPAC6-ethylsulfonyl-2-methylhexan-1-amine
SMILESCCS(=O)(=O)CCCCC(C)CN
InChIInChI=1S/C9H21NO2S/c1-3-13(11,12)7-5-4-6-9(2)8-10/h9H,3-8,10H2,1-2H3
InChIKeyZZTJZNLYBWYIAS-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.19
Rot. Bonds7

About 6-ethylsulfonyl-2-methylhexan-1-amine

6-ethylsulfonyl-2-methylhexan-1-amine (PubChem CID 65097363) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 6-ethylsulfonyl-2-methylhexan-1-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-2-methylhexan-1-amine
PubChem CID65097363
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name6-ethylsulfonyl-2-methylhexan-1-amine
SMILESCCS(=O)(=O)CCCCC(C)CN
InChIInChI=1S/C9H21NO2S/c1-3-13(11,12)7-5-4-6-9(2)8-10/h9H,3-8,10H2,1-2H3
InChIKeyZZTJZNLYBWYIAS-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2-methylhexan-1-amine?
The IUPAC name of 6-ethylsulfonyl-2-methylhexan-1-amine (CID 65097363) is 6-ethylsulfonyl-2-methylhexan-1-amine.
What is the SMILES notation for 6-ethylsulfonyl-2-methylhexan-1-amine?
The canonical SMILES for 6-ethylsulfonyl-2-methylhexan-1-amine is CCS(=O)(=O)CCCCC(C)CN.
What is the InChIKey of 6-ethylsulfonyl-2-methylhexan-1-amine?
The InChIKey is ZZTJZNLYBWYIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-3-13(11,12)7-5-4-6-9(2)8-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 6-ethylsulfonyl-2-methylhexan-1-amine?
6-ethylsulfonyl-2-methylhexan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2-methylhexan-1-amine is sourced from PubChem (CID 65097363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).