2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane

C9H21N2O2S- — CID 175620646

IUPAC2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane
SMILESCCC(CN(C)S(=O)[O-])CC(C)(C)N
InChIInChI=1S/C9H22N2O2S/c1-5-8(6-9(2,3)10)7-11(4)14(12)13/h8H,5-7,10H2,1-4H3,(H,12,13)/p-1
InChIKeyLQHMENRJEXBUOF-UHFFFAOYSA-M
MW221.35 g/mol
LogP0.87
Rot. Bonds6

About 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane

2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane (PubChem CID 175620646) has the molecular formula C9H21N2O2S- and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane.

Molecular Properties

Compound Name2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane
PubChem CID175620646
Molecular FormulaC9H21N2O2S-
Molecular Weight221.35 g/mol
Exact Mass221.13
IUPAC Name2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane
SMILESCCC(CN(C)S(=O)[O-])CC(C)(C)N
InChIInChI=1S/C9H22N2O2S/c1-5-8(6-9(2,3)10)7-11(4)14(12)13/h8H,5-7,10H2,1-4H3,(H,12,13)/p-1
InChIKeyLQHMENRJEXBUOF-UHFFFAOYSA-M
XLogP0.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane?
The IUPAC name of 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane (CID 175620646) is 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane.
What is the SMILES notation for 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane?
The canonical SMILES for 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane is CCC(CN(C)S(=O)[O-])CC(C)(C)N.
What is the InChIKey of 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane?
The InChIKey is LQHMENRJEXBUOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22N2O2S/c1-5-8(6-9(2,3)10)7-11(4)14(12)13/h8H,5-7,10H2,1-4H3,(H,12,13)/p-1.
What are the key properties of 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane?
2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane has a molecular weight of 221.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane is sourced from PubChem (CID 175620646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).