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

C8H16FNO2S — CID 71005325

IUPACN-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C8H16FNO2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8/h10H,4-6H2,1-3H3
InChIKeyRYHCBVBTWFVQAF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds3

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

N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide (PubChem CID 71005325) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide
PubChem CID71005325
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC NameN-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C8H16FNO2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8/h10H,4-6H2,1-3H3
InChIKeyRYHCBVBTWFVQAF-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
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-(fluoromethyl)cyclopropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide (CID 71005325) is N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)C1(CF)CC1.
What is the InChIKey of N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide?
The InChIKey is RYHCBVBTWFVQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8/h10H,4-6H2,1-3H3.
What are the key properties of N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide?
N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide has a molecular weight of 209.29 g/mol, XLogP of 1.21, 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-(fluoromethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 71005325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).