[1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine

C8H13F2NO2S — CID 155895452

IUPAC[1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine
SMILESNCC1(S(=O)(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C8H13F2NO2S/c9-8(10)3-6(4-8)14(12,13)7(5-11)1-2-7/h6H,1-5,11H2
InChIKeyUGPISUUWRWRUIL-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.69
Rot. Bonds3

About [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine

[1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine (PubChem CID 155895452) has the molecular formula C8H13F2NO2S and a molecular weight of 225.26 g/mol. Its IUPAC name is [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine
PubChem CID155895452
Molecular FormulaC8H13F2NO2S
Molecular Weight225.26 g/mol
Exact Mass225.06
IUPAC Name[1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine
SMILESNCC1(S(=O)(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C8H13F2NO2S/c9-8(10)3-6(4-8)14(12,13)7(5-11)1-2-7/h6H,1-5,11H2
InChIKeyUGPISUUWRWRUIL-UHFFFAOYSA-N
XLogP0.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
CID 146442008
tert-butyl 3-[1-(aminomethyl)cyclopropyl]sulfonylpyrrolidine-1-carboxylate
CID 155894661
(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride
CID 122164381
(1-cyclohexylsulfonylcyclopropyl)methanol
CID 117037467
[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine
CID 99997968
(3,3-difluorocyclobutyl)methanamine
CID 45480376
N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide
CID 130209119
[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol
CID 99997499
(1-methylsulfonylcyclopentyl)methanamine;hydrochloride
CID 119031260
cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
CID 99997527
(1-cyclopropylsulfonylcyclopropyl)methyl methanesulfonate
CID 146441848
[1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine
CID 115045721

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine?
The IUPAC name of [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine (CID 155895452) is [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine.
What is the SMILES notation for [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine?
The canonical SMILES for [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine is NCC1(S(=O)(=O)C2CC(F)(F)C2)CC1.
What is the InChIKey of [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine?
The InChIKey is UGPISUUWRWRUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2S/c9-8(10)3-6(4-8)14(12,13)7(5-11)1-2-7/h6H,1-5,11H2.
What are the key properties of [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine?
[1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine has a molecular weight of 225.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine is sourced from PubChem (CID 155895452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).