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

C9H22N2O2S — CID 175620647

IUPAC2-amino-2-methyl-4-[[methyl(sulfino)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)
InChIKeyLQHMENRJEXBUOF-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.21
Rot. Bonds6

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

2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane (PubChem CID 175620647) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane.

Molecular Properties

Compound Name2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane
PubChem CID175620647
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name2-amino-2-methyl-4-[[methyl(sulfino)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)
InChIKeyLQHMENRJEXBUOF-UHFFFAOYSA-N
XLogP1.21
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-2-methyl-4-[[methyl(sulfinato)amino]methyl]hexane
CID 175620646
5-Methyl-5-(sulfinoamino)-azacyclododecane
CID 139301764
6-Methyl-6-(sulfinoamino)-azacyclododecane
CID 139301770

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane?
The IUPAC name of 2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane (CID 175620647) is 2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane.
What is the SMILES notation for 2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane?
The canonical SMILES for 2-amino-2-methyl-4-[[methyl(sulfino)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(sulfino)amino]methyl]hexane?
The InChIKey is LQHMENRJEXBUOF-UHFFFAOYSA-N. 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).
What are the key properties of 2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane?
2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane has a molecular weight of 222.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane is sourced from PubChem (CID 175620647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).