N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide

C6H11F2NOS — CID 167493938

IUPACN-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide
SMILESCS(=O)NC1(C)CC(F)(F)C1
InChIInChI=1S/C6H11F2NOS/c1-5(9-11(2)10)3-6(7,8)4-5/h9H,3-4H2,1-2H3
InChIKeyOWQDRLSCINIKSP-UHFFFAOYSA-N
MW183.22 g/mol
LogP1.06
Rot. Bonds2

About N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide

N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide (PubChem CID 167493938) has the molecular formula C6H11F2NOS and a molecular weight of 183.22 g/mol. Its IUPAC name is N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide.

Molecular Properties

Compound NameN-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide
PubChem CID167493938
Molecular FormulaC6H11F2NOS
Molecular Weight183.22 g/mol
Exact Mass183.05
IUPAC NameN-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide
SMILESCS(=O)NC1(C)CC(F)(F)C1
InChIInChI=1S/C6H11F2NOS/c1-5(9-11(2)10)3-6(7,8)4-5/h9H,3-4H2,1-2H3
InChIKeyOWQDRLSCINIKSP-UHFFFAOYSA-N
XLogP1.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide?
The IUPAC name of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide (CID 167493938) is N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide.
What is the SMILES notation for N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide?
The canonical SMILES for N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide is CS(=O)NC1(C)CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide?
The InChIKey is OWQDRLSCINIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NOS/c1-5(9-11(2)10)3-6(7,8)4-5/h9H,3-4H2,1-2H3.
What are the key properties of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide?
N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide has a molecular weight of 183.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide is sourced from PubChem (CID 167493938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).