N-tert-butyl-N-methyl-2-sulfamoylacetamide

C7H16N2O3S — CID 139520568

IUPACN-tert-butyl-N-methyl-2-sulfamoylacetamide
SMILESCN(C(=O)CS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C7H16N2O3S/c1-7(2,3)9(4)6(10)5-13(8,11)12/h5H2,1-4H3,(H2,8,11,12)
InChIKeyYQISPDFZERZKGS-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.47
Rot. Bonds2

About N-tert-butyl-N-methyl-2-sulfamoylacetamide

N-tert-butyl-N-methyl-2-sulfamoylacetamide (PubChem CID 139520568) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-sulfamoylacetamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-sulfamoylacetamide
PubChem CID139520568
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-tert-butyl-N-methyl-2-sulfamoylacetamide
SMILESCN(C(=O)CS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C7H16N2O3S/c1-7(2,3)9(4)6(10)5-13(8,11)12/h5H2,1-4H3,(H2,8,11,12)
InChIKeyYQISPDFZERZKGS-UHFFFAOYSA-N
XLogP-0.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-sulfamoylacetate;hydrochloride
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3-amino-N-tert-butyl-2-hydroxy-N-methylpropanamide
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2-[tert-butyl(methyl)amino]-2-oxoacetic acid
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2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
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2-amino-N-tert-butyl-N-ethylacetamide
CID 82183887
2-bromo-N-tert-butyl-N,2-dimethylpropanamide
CID 54477333
N-tert-butyl-2,2,2-trifluoro-N-methylacetamide
CID 115190151
2-ethylsulfonyl-N,N-dimethylacetamide
CID 58102305
N-tert-butyl-N,2,2,3,3-pentamethylbutanamide
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2-[tert-butyl(sulfamoyl)amino]-2-methylpropane
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2-sulfamoylacetamide?
The IUPAC name of N-tert-butyl-N-methyl-2-sulfamoylacetamide (CID 139520568) is N-tert-butyl-N-methyl-2-sulfamoylacetamide.
What is the SMILES notation for N-tert-butyl-N-methyl-2-sulfamoylacetamide?
The canonical SMILES for N-tert-butyl-N-methyl-2-sulfamoylacetamide is CN(C(=O)CS(N)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-2-sulfamoylacetamide?
The InChIKey is YQISPDFZERZKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-7(2,3)9(4)6(10)5-13(8,11)12/h5H2,1-4H3,(H2,8,11,12).
What are the key properties of N-tert-butyl-N-methyl-2-sulfamoylacetamide?
N-tert-butyl-N-methyl-2-sulfamoylacetamide has a molecular weight of 208.28 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-sulfamoylacetamide is sourced from PubChem (CID 139520568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).