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

C5H11NO3S — CID 57033719

IUPAC2,2-dimethyl-1-oxo-1-(sulfinoamino)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)
InChIKeyRCTCACZBBQSRJV-UHFFFAOYSA-N
MW165.21 g/mol
LogP0.29
Rot. Bonds1

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

2,2-dimethyl-1-oxo-1-(sulfinoamino)propane (PubChem CID 57033719) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane.

Molecular Properties

Compound Name2,2-dimethyl-1-oxo-1-(sulfinoamino)propane
PubChem CID57033719
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name2,2-dimethyl-1-oxo-1-(sulfinoamino)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)
InChIKeyRCTCACZBBQSRJV-UHFFFAOYSA-N
XLogP0.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 50.29
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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane?
The IUPAC name of 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane (CID 57033719) is 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane.
What is the SMILES notation for 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane?
The canonical SMILES for 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane is CC(C)(C)C(=O)NS(=O)O.
What is the InChIKey of 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane?
The InChIKey is RCTCACZBBQSRJV-UHFFFAOYSA-N. 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).
What are the key properties of 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane?
2,2-dimethyl-1-oxo-1-(sulfinoamino)propane has a molecular weight of 165.21 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-oxo-1-(sulfinoamino)propane is sourced from PubChem (CID 57033719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).