6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane

C10H15FN2O3S — CID 128921835

IUPAC6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane
SMILESCC1(F)CNCCN(S(=O)(=O)c2ccco2)C1
InChIInChI=1S/C10H15FN2O3S/c1-10(11)7-12-4-5-13(8-10)17(14,15)9-3-2-6-16-9/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyFXMFRZJDFHMNMS-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.60
Rot. Bonds2

About 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane

6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane (PubChem CID 128921835) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane.

Molecular Properties

Compound Name6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane
PubChem CID128921835
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane
SMILESCC1(F)CNCCN(S(=O)(=O)c2ccco2)C1
InChIInChI=1S/C10H15FN2O3S/c1-10(11)7-12-4-5-13(8-10)17(14,15)9-3-2-6-16-9/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyFXMFRZJDFHMNMS-UHFFFAOYSA-N
XLogP0.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)furan-2-sulfonamide
CID 121553947
N-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-N-methylfuran-2-sulfonamide
CID 99802872
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride
CID 120876971
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide
CID 120876972
N-(3-amino-2,2-difluoropropyl)furan-2-sulfonamide;hydrochloride
CID 121606724
N-(3-amino-2,2-difluoropropyl)furan-2-sulfonamide
CID 121606725
1-(Furan-2-ylsulfonyl)-6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 132386181
1-(Furan-3-ylsulfonyl)-6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 132386182
1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 136574352
1-(Furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine
CID 138044732
1-(Furan-3-sulfonyl)piperazine
CID 54594774
N-butylfuran-2-sulfonamide
CID 70503543

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane?
The IUPAC name of 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane (CID 128921835) is 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane.
What is the SMILES notation for 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane?
The canonical SMILES for 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane is CC1(F)CNCCN(S(=O)(=O)c2ccco2)C1.
What is the InChIKey of 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane?
The InChIKey is FXMFRZJDFHMNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-10(11)7-12-4-5-13(8-10)17(14,15)9-3-2-6-16-9/h2-3,6,12H,4-5,7-8H2,1H3.
What are the key properties of 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane?
6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane has a molecular weight of 262.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane is sourced from PubChem (CID 128921835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).