2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane

C6H13NO3S — CID 174399036

IUPAC2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane
SMILESCN(C(=O)C(C)(C)C)S(=O)O
InChIInChI=1S/C6H13NO3S/c1-6(2,3)5(8)7(4)11(9)10/h1-4H3,(H,9,10)
InChIKeyQOOIXLHFMCMSKN-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.63
Rot. Bonds1

About 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane

2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane (PubChem CID 174399036) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane.

Molecular Properties

Compound Name2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane
PubChem CID174399036
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane
SMILESCN(C(=O)C(C)(C)C)S(=O)O
InChIInChI=1S/C6H13NO3S/c1-6(2,3)5(8)7(4)11(9)10/h1-4H3,(H,9,10)
InChIKeyQOOIXLHFMCMSKN-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[methyl(sulfino)amino]-sulfinoamino]methane
CID 23174157
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid
CID 158997566
2-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-N,N,2-trimethylpropanamide
CID 142784953
N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one
CID 158424293
3-hydroxy-N,N,2,2-tetramethylpropanamide
CID 10510973
3,3-diiodo-N,N-dimethyl-2-oxobutanamide
CID 155470286
2,2-dimethyl-1-oxo-1-(sulfinoamino)propane
CID 57033719
2,2,2-tris(dimethylamino)-N,N-dimethylacetamide
CID 87823120
2,2-dimethyl-N-silyl-N-trimethylsilylpropanamide
CID 123138128
N-ethyl-2,2-dimethylpropanehydrazide
CID 56982363

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane?
The IUPAC name of 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane (CID 174399036) is 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane.
What is the SMILES notation for 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane?
The canonical SMILES for 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane is CN(C(=O)C(C)(C)C)S(=O)O.
What is the InChIKey of 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane?
The InChIKey is QOOIXLHFMCMSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6(2,3)5(8)7(4)11(9)10/h1-4H3,(H,9,10).
What are the key properties of 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane?
2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane has a molecular weight of 179.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane is sourced from PubChem (CID 174399036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).