N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide

C8H17NO2S — CID 140857918

IUPACN-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide
SMILES[2H]C([2H])([2H])C1(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C8H17NO2S/c1-7(2,3)9-12(10,11)8(4)5-6-8/h9H,5-6H2,1-4H3/i4D3
InChIKeyFVVKCIUZDXQPKF-GKOSEXJESA-N
MW194.31 g/mol
LogP1.26
Rot. Bonds3

About N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide

N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide (PubChem CID 140857918) has the molecular formula C8H17NO2S and a molecular weight of 194.31 g/mol. Its IUPAC name is N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide
PubChem CID140857918
Molecular FormulaC8H17NO2S
Molecular Weight194.31 g/mol
Exact Mass194.12
IUPAC NameN-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide
SMILES[2H]C([2H])([2H])C1(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C8H17NO2S/c1-7(2,3)9-12(10,11)8(4)5-6-8/h9H,5-6H2,1-4H3/i4D3
InChIKeyFVVKCIUZDXQPKF-GKOSEXJESA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.31
LogP ≤ 51.26
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-(trideuteriomethyl)cyclopropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide (CID 140857918) is N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide is [2H]C([2H])([2H])C1(S(=O)(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide?
The InChIKey is FVVKCIUZDXQPKF-GKOSEXJESA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2,3)9-12(10,11)8(4)5-6-8/h9H,5-6H2,1-4H3/i4D3.
What are the key properties of N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide?
N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide has a molecular weight of 194.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(trideuteriomethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 140857918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).