N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide

C7H15NO2S — CID 58388273

IUPACN-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide
SMILES[2H]C1([2H])C([2H])([2H])C1([2H])S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H15NO2S/c1-7(2,3)8-11(9,10)6-4-5-6/h6,8H,4-5H2,1-3H3/i4D2,5D2,6D
InChIKeyJTZIZFSBVOHJQD-KKIITIRNSA-N
MW182.30 g/mol
LogP0.87
Rot. Bonds2

About N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide

N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide (PubChem CID 58388273) has the molecular formula C7H15NO2S and a molecular weight of 182.30 g/mol. Its IUPAC name is N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide
PubChem CID58388273
Molecular FormulaC7H15NO2S
Molecular Weight182.30 g/mol
Exact Mass182.11
IUPAC NameN-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide
SMILES[2H]C1([2H])C([2H])([2H])C1([2H])S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H15NO2S/c1-7(2,3)8-11(9,10)6-4-5-6/h6,8H,4-5H2,1-3H3/i4D2,5D2,6D
InChIKeyJTZIZFSBVOHJQD-KKIITIRNSA-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 ≤ 500182.30
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-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide (CID 58388273) is N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide is [2H]C1([2H])C([2H])([2H])C1([2H])S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide?
The InChIKey is JTZIZFSBVOHJQD-KKIITIRNSA-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/i4D2,5D2,6D.
What are the key properties of N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide?
N-tert-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide has a molecular weight of 182.30 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-butyl-1,2,2,3,3-pentadeuteriocyclopropane-1-sulfonamide is sourced from PubChem (CID 58388273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).