N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

C14H22FN3O2S — CID 106070511

IUPACN-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2cc(C)cc(F)c2)CC1
InChIInChI=1S/C14H22FN3O2S/c1-11-7-13(15)9-14(8-11)17-21(19,20)18-5-3-12(4-6-18)10-16-2/h7-9,12,16-17H,3-6,10H2,1-2H3
InChIKeySASRXAWVODIHGZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.72
Rot. Bonds5

About N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106070511) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106070511
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC NameN-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2cc(C)cc(F)c2)CC1
InChIInChI=1S/C14H22FN3O2S/c1-11-7-13(15)9-14(8-11)17-21(19,20)18-5-3-12(4-6-18)10-16-2/h7-9,12,16-17H,3-6,10H2,1-2H3
InChIKeySASRXAWVODIHGZ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064498
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
CID 106057817
N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide
CID 79049509
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 106061089
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070852
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
1-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978265
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
1-[1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709723

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106070511) is N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)Nc2cc(C)cc(F)c2)CC1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is SASRXAWVODIHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-11-7-13(15)9-14(8-11)17-21(19,20)18-5-3-12(4-6-18)10-16-2/h7-9,12,16-17H,3-6,10H2,1-2H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.72, 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)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106070511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).