3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide

C11H24N2O3S — CID 114955853

IUPAC3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1CNCCC1C
InChIInChI=1S/C11H24N2O3S/c1-10-4-5-12-8-11(10)9-13-17(14,15)7-3-6-16-2/h10-13H,3-9H2,1-2H3
InChIKeyPKNMUZKPUYVMMB-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.19
Rot. Bonds7

About 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide

3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide (PubChem CID 114955853) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide
PubChem CID114955853
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1CNCCC1C
InChIInChI=1S/C11H24N2O3S/c1-10-4-5-12-8-11(10)9-13-17(14,15)7-3-6-16-2/h10-13H,3-9H2,1-2H3
InChIKeyPKNMUZKPUYVMMB-UHFFFAOYSA-N
XLogP0.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955807
N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
CID 114955845
1-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 114955890
N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
CID 106136142
3-(3-ethylsulfonylpropyl)-4-methylpiperidine
CID 106779394
2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide
CID 114700166
methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
CID 80563588
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
CID 104972385
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140
2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955854

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide (CID 114955853) is 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide is COCCCS(=O)(=O)NCC1CNCCC1C.
What is the InChIKey of 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is PKNMUZKPUYVMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10-4-5-12-8-11(10)9-13-17(14,15)7-3-6-16-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide?
3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 114955853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).