N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide

C10H19F2NOS — CID 118558758

IUPACN-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1CC(F)(F)C1
InChIInChI=1S/C10H19F2NOS/c1-7(8-5-10(11,12)6-8)13-15(14)9(2,3)4/h7-8,13H,5-6H2,1-4H3
InChIKeyLZSSTUYWDUHRPQ-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.47
Rot. Bonds3

About N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide

N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 118558758) has the molecular formula C10H19F2NOS and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID118558758
Molecular FormulaC10H19F2NOS
Molecular Weight239.33 g/mol
Exact Mass239.12
IUPAC NameN-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1CC(F)(F)C1
InChIInChI=1S/C10H19F2NOS/c1-7(8-5-10(11,12)6-8)13-15(14)9(2,3)4/h7-8,13H,5-6H2,1-4H3
InChIKeyLZSSTUYWDUHRPQ-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide (CID 118558758) is N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)C1CC(F)(F)C1.
What is the InChIKey of N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is LZSSTUYWDUHRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NOS/c1-7(8-5-10(11,12)6-8)13-15(14)9(2,3)4/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 239.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118558758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).