4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide

C14H23N3O2S2 — CID 106057817

IUPAC4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2ccc(SC)cc2)CC1
InChIInChI=1S/C14H23N3O2S2/c1-15-11-12-7-9-17(10-8-12)21(18,19)16-13-3-5-14(20-2)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyIWPKBGRGIPQQMY-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.00
Rot. Bonds6

About 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide (PubChem CID 106057817) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
PubChem CID106057817
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2ccc(SC)cc2)CC1
InChIInChI=1S/C14H23N3O2S2/c1-15-11-12-7-9-17(10-8-12)21(18,19)16-13-3-5-14(20-2)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyIWPKBGRGIPQQMY-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064498
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219
4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106063201
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 106061089
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(4-methylsulfanylphenoxy)propan-1-one
CID 119543670
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070852

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide (CID 106057817) is 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)Nc2ccc(SC)cc2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide?
The InChIKey is IWPKBGRGIPQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-15-11-12-7-9-17(10-8-12)21(18,19)16-13-3-5-14(20-2)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide has a molecular weight of 329.49 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106057817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).