2-[ethyl(sulfinato)amino]hexane

C8H18NO2S- — CID 57004682

IUPAC2-[ethyl(sulfinato)amino]hexane
SMILESCCCCC(C)N(CC)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-4-6-7-8(3)9(5-2)12(10)11/h8H,4-7H2,1-3H3,(H,10,11)/p-1
InChIKeyJBQYNTUTWVKJPQ-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.68
Rot. Bonds6

About 2-[ethyl(sulfinato)amino]hexane

2-[ethyl(sulfinato)amino]hexane (PubChem CID 57004682) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-[ethyl(sulfinato)amino]hexane.

Molecular Properties

Compound Name2-[ethyl(sulfinato)amino]hexane
PubChem CID57004682
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name2-[ethyl(sulfinato)amino]hexane
SMILESCCCCC(C)N(CC)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-4-6-7-8(3)9(5-2)12(10)11/h8H,4-7H2,1-3H3,(H,10,11)/p-1
InChIKeyJBQYNTUTWVKJPQ-UHFFFAOYSA-M
XLogP1.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-ethylaminosulfonamide
CID 43132033
Sodium N-ethylcyclohexylsulfamate
CID 109374197
Cyclohexyl(propyl)sulfamic acid
CID 54153691
N-Ethylcyclohexanesulfamic acid
CID 20316519
N-hexyl-N-propylsulfamoyl fluoride
CID 177773657
n,n,2-Trimethylpiperidine-1-sulfonamide
CID 223612
Cyclohexyl(ethyl)sulfamoyl chloride
CID 16769623
[Cyclohexyl(sulfinato)amino]cyclohexane
CID 17834275
1-[Pentyl(sulfinato)amino]pentane
CID 18977807
1-[Hexyl(sulfinato)amino]hexane
CID 18977814
1-[Heptyl(sulfinato)amino]heptane
CID 18977817
Cyclohexyl(propan-2-yl)sulfamic acid
CID 20149520

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(sulfinato)amino]hexane?
The IUPAC name of 2-[ethyl(sulfinato)amino]hexane (CID 57004682) is 2-[ethyl(sulfinato)amino]hexane.
What is the SMILES notation for 2-[ethyl(sulfinato)amino]hexane?
The canonical SMILES for 2-[ethyl(sulfinato)amino]hexane is CCCCC(C)N(CC)S(=O)[O-].
What is the InChIKey of 2-[ethyl(sulfinato)amino]hexane?
The InChIKey is JBQYNTUTWVKJPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-4-6-7-8(3)9(5-2)12(10)11/h8H,4-7H2,1-3H3,(H,10,11)/p-1.
What are the key properties of 2-[ethyl(sulfinato)amino]hexane?
2-[ethyl(sulfinato)amino]hexane has a molecular weight of 192.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(sulfinato)amino]hexane is sourced from PubChem (CID 57004682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).