1-[methyl(sulfinato)amino]hexane

C7H16NO2S- — CID 57091448

IUPAC1-[methyl(sulfinato)amino]hexane
SMILESCCCCCCN(C)S(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-3-4-5-6-7-8(2)11(9)10/h3-7H2,1-2H3,(H,9,10)/p-1
InChIKeyHNLJFBDIHCBYIS-UHFFFAOYSA-M
MW178.28 g/mol
LogP1.29
Rot. Bonds6

About 1-[methyl(sulfinato)amino]hexane

1-[methyl(sulfinato)amino]hexane (PubChem CID 57091448) has the molecular formula C7H16NO2S- and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[methyl(sulfinato)amino]hexane.

Molecular Properties

Compound Name1-[methyl(sulfinato)amino]hexane
PubChem CID57091448
Molecular FormulaC7H16NO2S-
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name1-[methyl(sulfinato)amino]hexane
SMILESCCCCCCN(C)S(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-3-4-5-6-7-8(2)11(9)10/h3-7H2,1-2H3,(H,9,10)/p-1
InChIKeyHNLJFBDIHCBYIS-UHFFFAOYSA-M
XLogP1.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(sulfinato)amino]hexane?
The IUPAC name of 1-[methyl(sulfinato)amino]hexane (CID 57091448) is 1-[methyl(sulfinato)amino]hexane.
What is the SMILES notation for 1-[methyl(sulfinato)amino]hexane?
The canonical SMILES for 1-[methyl(sulfinato)amino]hexane is CCCCCCN(C)S(=O)[O-].
What is the InChIKey of 1-[methyl(sulfinato)amino]hexane?
The InChIKey is HNLJFBDIHCBYIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NO2S/c1-3-4-5-6-7-8(2)11(9)10/h3-7H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 1-[methyl(sulfinato)amino]hexane?
1-[methyl(sulfinato)amino]hexane has a molecular weight of 178.28 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(sulfinato)amino]hexane is sourced from PubChem (CID 57091448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).