N-tert-butylsulfinyl-2,2-dimethylpropanamide

C9H19NO2S — CID 162396789

IUPACN-tert-butylsulfinyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)C(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2,3)7(11)10-13(12)9(4,5)6/h1-6H3,(H,10,11)
InChIKeyMFZOHZOJUPCJRR-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.61
Rot. Bonds1

About N-tert-butylsulfinyl-2,2-dimethylpropanamide

N-tert-butylsulfinyl-2,2-dimethylpropanamide (PubChem CID 162396789) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-tert-butylsulfinyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-tert-butylsulfinyl-2,2-dimethylpropanamide
PubChem CID162396789
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-tert-butylsulfinyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)C(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2,3)7(11)10-13(12)9(4,5)6/h1-6H3,(H,10,11)
InChIKeyMFZOHZOJUPCJRR-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-oxo-1-(sulfinoamino)propane
CID 57033719
N-tert-butylsulfinylbenzamide
CID 132577601
2,2-dimethyl-N'-oxidopropanehydrazide
CID 88532549
N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide
CID 135034526
N-[5-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]ethyl]-6-phenylpyridazin-3-yl]-2,2-dimethylpropanamide
CID 169103567
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
N-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146
N-(tert-butylcarbamoyl)-2,2-dimethylpropanamide
CID 58200215
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
methyl 4-(tert-butylsulfinylamino)butanoate
CID 141328715
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
CID 10751477

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfinyl-2,2-dimethylpropanamide?
The IUPAC name of N-tert-butylsulfinyl-2,2-dimethylpropanamide (CID 162396789) is N-tert-butylsulfinyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-tert-butylsulfinyl-2,2-dimethylpropanamide?
The canonical SMILES for N-tert-butylsulfinyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)NS(=O)C(C)(C)C.
What is the InChIKey of N-tert-butylsulfinyl-2,2-dimethylpropanamide?
The InChIKey is MFZOHZOJUPCJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2,3)7(11)10-13(12)9(4,5)6/h1-6H3,(H,10,11).
What are the key properties of N-tert-butylsulfinyl-2,2-dimethylpropanamide?
N-tert-butylsulfinyl-2,2-dimethylpropanamide has a molecular weight of 205.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfinyl-2,2-dimethylpropanamide is sourced from PubChem (CID 162396789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).