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

C8H17F2NOS — CID 167494082

IUPACN-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane
SMILESCC.CS(=O)NC1(C)CC(F)(F)C1
InChIInChI=1S/C6H11F2NOS.C2H6/c1-5(9-11(2)10)3-6(7,8)4-5;1-2/h9H,3-4H2,1-2H3;1-2H3
InChIKeyJBNRBAHTQVBDCU-UHFFFAOYSA-N
MW213.29 g/mol
LogP2.08
Rot. Bonds2

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

N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane (PubChem CID 167494082) has the molecular formula C8H17F2NOS and a molecular weight of 213.29 g/mol. Its IUPAC name is N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane.

Molecular Properties

Compound NameN-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane
PubChem CID167494082
Molecular FormulaC8H17F2NOS
Molecular Weight213.29 g/mol
Exact Mass213.10
IUPAC NameN-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane
SMILESCC.CS(=O)NC1(C)CC(F)(F)C1
InChIInChI=1S/C6H11F2NOS.C2H6/c1-5(9-11(2)10)3-6(7,8)4-5;1-2/h9H,3-4H2,1-2H3;1-2H3
InChIKeyJBNRBAHTQVBDCU-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 52.08
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;ethane?
The IUPAC name of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane (CID 167494082) is N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane.
What is the SMILES notation for N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane?
The canonical SMILES for N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane is CC.CS(=O)NC1(C)CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane?
The InChIKey is JBNRBAHTQVBDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NOS.C2H6/c1-5(9-11(2)10)3-6(7,8)4-5;1-2/h9H,3-4H2,1-2H3;1-2H3.
What are the key properties of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane?
N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane has a molecular weight of 213.29 g/mol, XLogP of 2.08, 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;ethane is sourced from PubChem (CID 167494082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).