2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane

C5H10NO3S- — CID 57033718

IUPAC2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane
SMILESCC(C)(C)C(=O)NS(=O)[O-]
InChIInChI=1S/C5H11NO3S/c1-5(2,3)4(7)6-10(8)9/h1-3H3,(H,6,7)(H,8,9)/p-1
InChIKeyRCTCACZBBQSRJV-UHFFFAOYSA-M
MW164.21 g/mol
LogP-0.06
Rot. Bonds1

About 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane

2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane (PubChem CID 57033718) has the molecular formula C5H10NO3S- and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane.

Molecular Properties

Compound Name2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane
PubChem CID57033718
Molecular FormulaC5H10NO3S-
Molecular Weight164.21 g/mol
Exact Mass164.04
IUPAC Name2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane
SMILESCC(C)(C)C(=O)NS(=O)[O-]
InChIInChI=1S/C5H11NO3S/c1-5(2,3)4(7)6-10(8)9/h1-3H3,(H,6,7)(H,8,9)/p-1
InChIKeyRCTCACZBBQSRJV-UHFFFAOYSA-M
XLogP-0.06
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.06
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 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane?
The IUPAC name of 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane (CID 57033718) is 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane.
What is the SMILES notation for 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane?
The canonical SMILES for 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane is CC(C)(C)C(=O)NS(=O)[O-].
What is the InChIKey of 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane?
The InChIKey is RCTCACZBBQSRJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO3S/c1-5(2,3)4(7)6-10(8)9/h1-3H3,(H,6,7)(H,8,9)/p-1.
What are the key properties of 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane?
2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane has a molecular weight of 164.21 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-oxo-1-(sulfinatoamino)propane is sourced from PubChem (CID 57033718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).