N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

C14H22FN3O2S — CID 106070512

IUPACN-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)Nc1cc(C)cc(F)c1
InChIInChI=1S/C14H22FN3O2S/c1-11-7-12(15)9-13(8-11)17-21(19,20)18-6-4-3-5-14(18)10-16-2/h7-9,14,16-17H,3-6,10H2,1-2H3
InChIKeyZGHSMQPTMYCLGT-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.86
Rot. Bonds5

About N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106070512) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106070512
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC NameN-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)Nc1cc(C)cc(F)c1
InChIInChI=1S/C14H22FN3O2S/c1-11-7-12(15)9-13(8-11)17-21(19,20)18-6-4-3-5-14(18)10-16-2/h7-9,14,16-17H,3-6,10H2,1-2H3
InChIKeyZGHSMQPTMYCLGT-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087941
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919
N-(3-bromo-4-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070944
N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106030566
N-(5-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056721
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63250454
1-[1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316506
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106070512) is N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)Nc1cc(C)cc(F)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is ZGHSMQPTMYCLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-11-7-12(15)9-13(8-11)17-21(19,20)18-6-4-3-5-14(18)10-16-2/h7-9,14,16-17H,3-6,10H2,1-2H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106070512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).