N-tert-butyl-2-methylpropane-2-sulfonamide

C8H19NO2S — CID 19021575

IUPACN-tert-butyl-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H19NO2S/c1-7(2,3)9-12(10,11)8(4,5)6/h9H,1-6H3
InChIKeyATXAIKXSHFZIEL-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.50
Rot. Bonds1

About N-tert-butyl-2-methylpropane-2-sulfonamide

N-tert-butyl-2-methylpropane-2-sulfonamide (PubChem CID 19021575) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-tert-butyl-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methylpropane-2-sulfonamide
PubChem CID19021575
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-tert-butyl-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H19NO2S/c1-7(2,3)9-12(10,11)8(4,5)6/h9H,1-6H3
InChIKeyATXAIKXSHFZIEL-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylpropane-2-sulfonamide?
The IUPAC name of N-tert-butyl-2-methylpropane-2-sulfonamide (CID 19021575) is N-tert-butyl-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-tert-butyl-2-methylpropane-2-sulfonamide is CC(C)(C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylpropane-2-sulfonamide?
The InChIKey is ATXAIKXSHFZIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-7(2,3)9-12(10,11)8(4,5)6/h9H,1-6H3.
What are the key properties of N-tert-butyl-2-methylpropane-2-sulfonamide?
N-tert-butyl-2-methylpropane-2-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 19021575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).