N-tert-butylcyclopropanesulfonamide

C7H15NO2S — CID 22499301

IUPACN-tert-butylcyclopropanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CC1
InChIInChI=1S/C7H15NO2S/c1-7(2,3)8-11(9,10)6-4-5-6/h6,8H,4-5H2,1-3H3
InChIKeyJTZIZFSBVOHJQD-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.87
Rot. Bonds2

About N-tert-butylcyclopropanesulfonamide

N-tert-butylcyclopropanesulfonamide (PubChem CID 22499301) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-tert-butylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-tert-butylcyclopropanesulfonamide
PubChem CID22499301
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-tert-butylcyclopropanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CC1
InChIInChI=1S/C7H15NO2S/c1-7(2,3)8-11(9,10)6-4-5-6/h6,8H,4-5H2,1-3H3
InChIKeyJTZIZFSBVOHJQD-UHFFFAOYSA-N
XLogP0.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclopropanesulfonamide?
The IUPAC name of N-tert-butylcyclopropanesulfonamide (CID 22499301) is N-tert-butylcyclopropanesulfonamide.
What is the SMILES notation for N-tert-butylcyclopropanesulfonamide?
The canonical SMILES for N-tert-butylcyclopropanesulfonamide is CC(C)(C)NS(=O)(=O)C1CC1.
What is the InChIKey of N-tert-butylcyclopropanesulfonamide?
The InChIKey is JTZIZFSBVOHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2,3)8-11(9,10)6-4-5-6/h6,8H,4-5H2,1-3H3.
What are the key properties of N-tert-butylcyclopropanesulfonamide?
N-tert-butylcyclopropanesulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclopropanesulfonamide is sourced from PubChem (CID 22499301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).