[1-(difluoromethyl)cyclobutyl]methanesulfinamide

C6H11F2NOS — CID 165452874

IUPAC[1-(difluoromethyl)cyclobutyl]methanesulfinamide
SMILESNS(=O)CC1(C(F)F)CCC1
InChIInChI=1S/C6H11F2NOS/c7-5(8)6(2-1-3-6)4-11(9)10/h5H,1-4,9H2
InChIKeyGJKXRHRGASYSBS-UHFFFAOYSA-N
MW183.22 g/mol
LogP1.04
Rot. Bonds3

About [1-(difluoromethyl)cyclobutyl]methanesulfinamide

[1-(difluoromethyl)cyclobutyl]methanesulfinamide (PubChem CID 165452874) has the molecular formula C6H11F2NOS and a molecular weight of 183.22 g/mol. Its IUPAC name is [1-(difluoromethyl)cyclobutyl]methanesulfinamide.

Molecular Properties

Compound Name[1-(difluoromethyl)cyclobutyl]methanesulfinamide
PubChem CID165452874
Molecular FormulaC6H11F2NOS
Molecular Weight183.22 g/mol
Exact Mass183.05
IUPAC Name[1-(difluoromethyl)cyclobutyl]methanesulfinamide
SMILESNS(=O)CC1(C(F)F)CCC1
InChIInChI=1S/C6H11F2NOS/c7-5(8)6(2-1-3-6)4-11(9)10/h5H,1-4,9H2
InChIKeyGJKXRHRGASYSBS-UHFFFAOYSA-N
XLogP1.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 84684212
1-(difluoromethyl)cyclopentane-1-carbaldehyde
CID 84763056
1,4-bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane
CID 15656332
spiro[3.3]heptan-2-ylmethanesulfinamide
CID 165452938
[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015
[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride
CID 155893033
2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol
CID 105463099
1-(2,2-difluoroethyl)cyclobutan-1-amine
CID 115011284
1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine
CID 167721084
4-(difluoromethyl)spiro[4.4]nonan-4-amine
CID 130605016
ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
CID 79366198
2-(1-propan-2-ylcyclohexyl)acetaldehyde
CID 57205409

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)cyclobutyl]methanesulfinamide?
The IUPAC name of [1-(difluoromethyl)cyclobutyl]methanesulfinamide (CID 165452874) is [1-(difluoromethyl)cyclobutyl]methanesulfinamide.
What is the SMILES notation for [1-(difluoromethyl)cyclobutyl]methanesulfinamide?
The canonical SMILES for [1-(difluoromethyl)cyclobutyl]methanesulfinamide is NS(=O)CC1(C(F)F)CCC1.
What is the InChIKey of [1-(difluoromethyl)cyclobutyl]methanesulfinamide?
The InChIKey is GJKXRHRGASYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NOS/c7-5(8)6(2-1-3-6)4-11(9)10/h5H,1-4,9H2.
What are the key properties of [1-(difluoromethyl)cyclobutyl]methanesulfinamide?
[1-(difluoromethyl)cyclobutyl]methanesulfinamide has a molecular weight of 183.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)cyclobutyl]methanesulfinamide is sourced from PubChem (CID 165452874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).