1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine

C14H21FN2O2S — CID 119978268

IUPAC1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11-9-13(3-4-14(11)15)20(18,19)17-7-5-12(6-8-17)10-16-2/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyPUWDGPJSRCLJSU-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.75
Rot. Bonds4

About 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine

1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 119978268) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
PubChem CID119978268
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11-9-13(3-4-14(11)15)20(18,19)17-7-5-12(6-8-17)10-16-2/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyPUWDGPJSRCLJSU-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120875001
N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978571
N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
CID 119978372
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978143
ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823231
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine (CID 119978268) is 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is PUWDGPJSRCLJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11-9-13(3-4-14(11)15)20(18,19)17-7-5-12(6-8-17)10-16-2/h3-4,9,12,16H,5-8,10H2,1-2H3.
What are the key properties of 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 300.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 119978268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).