N-tert-butylsulfonylacetamide

C6H13NO3S — CID 11355836

IUPACN-tert-butylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C6H13NO3S/c1-5(8)7-11(9,10)6(2,3)4/h1-4H3,(H,7,8)
InChIKeyBWBMGKQEHDRODQ-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.10
Rot. Bonds2

About N-tert-butylsulfonylacetamide

N-tert-butylsulfonylacetamide (PubChem CID 11355836) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-tert-butylsulfonylacetamide.

Molecular Properties

Compound NameN-tert-butylsulfonylacetamide
PubChem CID11355836
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-tert-butylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C6H13NO3S/c1-5(8)7-11(9,10)6(2,3)4/h1-4H3,(H,7,8)
InChIKeyBWBMGKQEHDRODQ-UHFFFAOYSA-N
XLogP0.10
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity242

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylsulfonylacetamide
CID 18730101
N-(1-fluorocyclopropyl)sulfonylacetamide
CID 89930394
N-(3-fluoropropylsulfonyl)acetamide
CID 131214902
N-tert-butylsulfonyl-2,2,2-trifluoroacetamide
CID 176600724
N-tert-butylsulfonyl-2,2-difluoroacetamide
CID 131057085
N-[1-(fluoromethyl)cyclopropyl]sulfonylacetamide
CID 144470583
2-methyl-N-methylsulfonylpropanamide
CID 18730055
N-propan-2-ylsulfonylacetamide
CID 18730103
N-propylsulfonylacetamide
CID 18730112
N-ethylsulfonylpropanamide
CID 20608148
N-butylsulfonylacetamide
CID 21555378
N-methylsulfonylpropanamide
CID 21614489

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonylacetamide?
The IUPAC name of N-tert-butylsulfonylacetamide (CID 11355836) is N-tert-butylsulfonylacetamide.
What is the SMILES notation for N-tert-butylsulfonylacetamide?
The canonical SMILES for N-tert-butylsulfonylacetamide is CC(=O)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-tert-butylsulfonylacetamide?
The InChIKey is BWBMGKQEHDRODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-5(8)7-11(9,10)6(2,3)4/h1-4H3,(H,7,8).
What are the key properties of N-tert-butylsulfonylacetamide?
N-tert-butylsulfonylacetamide has a molecular weight of 179.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonylacetamide is sourced from PubChem (CID 11355836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).