[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine

C14H21FN2O3S — CID 102971771

IUPAC[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
SMILESCOC1CCCN(S(=O)(=O)c2cc(CN)cc(F)c2C)C1
InChIInChI=1S/C14H21FN2O3S/c1-10-13(15)6-11(8-16)7-14(10)21(18,19)17-5-3-4-12(9-17)20-2/h6-7,12H,3-5,8-9,16H2,1-2H3
InChIKeyYFHJIPMRPWFOJJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.39
Rot. Bonds4

About [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine

[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine (PubChem CID 102971771) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
PubChem CID102971771
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
SMILESCOC1CCCN(S(=O)(=O)c2cc(CN)cc(F)c2C)C1
InChIInChI=1S/C14H21FN2O3S/c1-10-13(15)6-11(8-16)7-14(10)21(18,19)17-5-3-4-12(9-17)20-2/h6-7,12H,3-5,8-9,16H2,1-2H3
InChIKeyYFHJIPMRPWFOJJ-UHFFFAOYSA-N
XLogP1.39
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
CID 103541381
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylaniline
CID 103530274
3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371
[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 102971809
2-bromo-4-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955323
[2-chloro-3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanamine
CID 102971844
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
1-[3-(chloromethyl)-2,4-difluorophenyl]sulfonyl-3-methoxypiperidine
CID 102969102
[3-bromo-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylphenyl]methanol
CID 103541087
3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106505482
[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
CID 102970827

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine?
The IUPAC name of [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine (CID 102971771) is [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine is COC1CCCN(S(=O)(=O)c2cc(CN)cc(F)c2C)C1.
What is the InChIKey of [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine?
The InChIKey is YFHJIPMRPWFOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-10-13(15)6-11(8-16)7-14(10)21(18,19)17-5-3-4-12(9-17)20-2/h6-7,12H,3-5,8-9,16H2,1-2H3.
What are the key properties of [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine?
[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine has a molecular weight of 316.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine is sourced from PubChem (CID 102971771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).