N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine

C14H20F2N2O2S — CID 63879108

IUPACN-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2O2S/c1-2-17-9-11-4-3-7-18(10-11)21(19,20)14-6-5-12(15)8-13(14)16/h5-6,8,11,17H,2-4,7,9-10H2,1H3
InChIKeyVMRATUQDLLLKTN-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.98
Rot. Bonds5

About N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine

N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine (PubChem CID 63879108) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
PubChem CID63879108
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2O2S/c1-2-17-9-11-4-3-7-18(10-11)21(19,20)14-6-5-12(15)8-13(14)16/h5-6,8,11,17H,2-4,7,9-10H2,1H3
InChIKeyVMRATUQDLLLKTN-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879448
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
CID 142458057
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
N-[[1-(2-bromo-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990532
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
CID 114498922
2-cyclopentyl-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9302375
2-[[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120894316
2-[[1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727017

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine (CID 63879108) is N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The InChIKey is VMRATUQDLLLKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-17-9-11-4-3-7-18(10-11)21(19,20)14-6-5-12(15)8-13(14)16/h5-6,8,11,17H,2-4,7,9-10H2,1H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine?
N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine has a molecular weight of 318.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63879108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).