[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine

C14H21FN2O2S — CID 63623393

IUPAC[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
SMILESCC1CCCN(S(=O)(=O)c2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11-3-2-7-17(8-6-11)20(18,19)13-4-5-14(15)12(9-13)10-16/h4-5,9,11H,2-3,6-8,10,16H2,1H3
InChIKeyFWDKWRRCSQZUDM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.10
Rot. Bonds3

About [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine

[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine (PubChem CID 63623393) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
PubChem CID63623393
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
SMILESCC1CCCN(S(=O)(=O)c2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11-3-2-7-17(8-6-11)20(18,19)13-4-5-14(15)12(9-13)10-16/h4-5,9,11H,2-3,6-8,10,16H2,1H3
InChIKeyFWDKWRRCSQZUDM-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-3-methyl-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 81428280
[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 28716722
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 81457801
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532
[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 55171349
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
CID 63288121
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine (CID 63623393) is [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine is CC1CCCN(S(=O)(=O)c2ccc(F)c(CN)c2)CC1.
What is the InChIKey of [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine?
The InChIKey is FWDKWRRCSQZUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11-3-2-7-17(8-6-11)20(18,19)13-4-5-14(15)12(9-13)10-16/h4-5,9,11H,2-3,6-8,10,16H2,1H3.
What are the key properties of [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine?
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine has a molecular weight of 300.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 63623393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).