1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane

C7H17N2O2S- — CID 89357120

IUPAC1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane
SMILESCN(C)CC(C)(C)CNS(=O)[O-]
InChIInChI=1S/C7H18N2O2S/c1-7(2,6-9(3)4)5-8-12(10)11/h8H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyAWMYYYCQCXTFPX-UHFFFAOYSA-M
MW193.29 g/mol
LogP-0.04
Rot. Bonds5

About 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane

1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane (PubChem CID 89357120) has the molecular formula C7H17N2O2S- and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane
PubChem CID89357120
Molecular FormulaC7H17N2O2S-
Molecular Weight193.29 g/mol
Exact Mass193.10
IUPAC Name1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane
SMILESCN(C)CC(C)(C)CNS(=O)[O-]
InChIInChI=1S/C7H18N2O2S/c1-7(2,6-9(3)4)5-8-12(10)11/h8H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyAWMYYYCQCXTFPX-UHFFFAOYSA-M
XLogP-0.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-0.04
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 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane?
The IUPAC name of 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane (CID 89357120) is 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane.
What is the SMILES notation for 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane?
The canonical SMILES for 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane is CN(C)CC(C)(C)CNS(=O)[O-].
What is the InChIKey of 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane?
The InChIKey is AWMYYYCQCXTFPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2,6-9(3)4)5-8-12(10)11/h8H,5-6H2,1-4H3,(H,10,11)/p-1.
What are the key properties of 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane?
1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane has a molecular weight of 193.29 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2,2-dimethyl-3-(sulfinatoamino)propane is sourced from PubChem (CID 89357120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).