N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine

C9H15F2NO2S — CID 142295187

IUPACN-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine
SMILESCC1(NCC2CC(F)(F)C2)CS(=O)(=O)C1
InChIInChI=1S/C9H15F2NO2S/c1-8(5-15(13,14)6-8)12-4-7-2-9(10,11)3-7/h7,12H,2-6H2,1H3
InChIKeySPGSKGSATRVIAM-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.81
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine

N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine (PubChem CID 142295187) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine
PubChem CID142295187
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine
SMILESCC1(NCC2CC(F)(F)C2)CS(=O)(=O)C1
InChIInChI=1S/C9H15F2NO2S/c1-8(5-15(13,14)6-8)12-4-7-2-9(10,11)3-7/h7,12H,2-6H2,1H3
InChIKeySPGSKGSATRVIAM-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine (CID 142295187) is N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine is CC1(NCC2CC(F)(F)C2)CS(=O)(=O)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine?
The InChIKey is SPGSKGSATRVIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c1-8(5-15(13,14)6-8)12-4-7-2-9(10,11)3-7/h7,12H,2-6H2,1H3.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine?
N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine has a molecular weight of 239.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine is sourced from PubChem (CID 142295187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).