2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide

C7H14F2N2O2S — CID 157027047

IUPAC2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)3-6(4-7)5-11-14(12,13)2-1-10/h6,11H,1-5,10H2
InChIKeyJZKYSITXTGUAGG-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.09
Rot. Bonds5

About 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide

2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide (PubChem CID 157027047) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide
PubChem CID157027047
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)3-6(4-7)5-11-14(12,13)2-1-10/h6,11H,1-5,10H2
InChIKeyJZKYSITXTGUAGG-UHFFFAOYSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclobutylmethyl)ethane-1-sulfonamide
CID 43298721
N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide
CID 128774986
N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
CID 66006693
N-[(3-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059437
N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059873
N-[(1-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 113805633
N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 114150933
2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide
CID 115517877
N-[1-(aminomethyl)cyclobutyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 116367034
N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide
CID 131154537
[3-(Difluoromethylsulfonyl)cyclobutyl]methanamine
CID 168025149
1-[(1r,3r)-3-Trifluoromethanesulfonylcyclobutyl]methanamine hydrochloride
CID 168025150

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide (CID 157027047) is 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide is NCCS(=O)(=O)NCC1CC(F)(F)C1.
What is the InChIKey of 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide?
The InChIKey is JZKYSITXTGUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9)3-6(4-7)5-11-14(12,13)2-1-10/h6,11H,1-5,10H2.
What are the key properties of 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide?
2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide is sourced from PubChem (CID 157027047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).