[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine

C13H20FN3O2S — CID 102920270

IUPAC[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine
SMILESCCN1CCN(S(=O)(=O)c2cc(F)ccc2CN)CC1
InChIInChI=1S/C13H20FN3O2S/c1-2-16-5-7-17(8-6-16)20(18,19)13-9-12(14)4-3-11(13)10-15/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeyOZBKMNQTTNFMER-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.61
Rot. Bonds4

About [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine

[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine (PubChem CID 102920270) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine
PubChem CID102920270
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine
SMILESCCN1CCN(S(=O)(=O)c2cc(F)ccc2CN)CC1
InChIInChI=1S/C13H20FN3O2S/c1-2-16-5-7-17(8-6-16)20(18,19)13-9-12(14)4-3-11(13)10-15/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeyOZBKMNQTTNFMER-UHFFFAOYSA-N
XLogP0.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-(aminomethyl)-5-fluorophenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 58877974
(3S,4S)-4-[4-[2-(aminomethyl)-5-fluorophenyl]sulfonylpiperazin-1-yl]-N,N-dimethyloxolan-3-amine
CID 58877931
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine
CID 102920759
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
CID 66878651
1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 8796966
ethyl 2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetate
CID 52788016
N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 102920201
1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 6469732
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methanol
CID 102919669

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine?
The IUPAC name of [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine (CID 102920270) is [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine is CCN1CCN(S(=O)(=O)c2cc(F)ccc2CN)CC1.
What is the InChIKey of [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine?
The InChIKey is OZBKMNQTTNFMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-2-16-5-7-17(8-6-16)20(18,19)13-9-12(14)4-3-11(13)10-15/h3-4,9H,2,5-8,10,15H2,1H3.
What are the key properties of [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine?
[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine has a molecular weight of 301.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine is sourced from PubChem (CID 102920270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).