4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide

C16H26N2O4S — CID 120896693

IUPAC4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
SMILESCOCC1(CNS(=O)(=O)c2ccc(OC)cc2C)CCNCC1
InChIInChI=1S/C16H26N2O4S/c1-13-10-14(22-3)4-5-15(13)23(19,20)18-11-16(12-21-2)6-8-17-9-7-16/h4-5,10,17-18H,6-9,11-12H2,1-3H3
InChIKeyYACYKNYVTKBHBW-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.30
Rot. Bonds7

About 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide

4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide (PubChem CID 120896693) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
PubChem CID120896693
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
SMILESCOCC1(CNS(=O)(=O)c2ccc(OC)cc2C)CCNCC1
InChIInChI=1S/C16H26N2O4S/c1-13-10-14(22-3)4-5-15(13)23(19,20)18-11-16(12-21-2)6-8-17-9-7-16/h4-5,10,17-18H,6-9,11-12H2,1-3H3
InChIKeyYACYKNYVTKBHBW-UHFFFAOYSA-N
XLogP1.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120896104
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 120896633
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
ethyl 3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-4-methylbenzoate
CID 120896425
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide (CID 120896693) is 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide is COCC1(CNS(=O)(=O)c2ccc(OC)cc2C)CCNCC1.
What is the InChIKey of 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is YACYKNYVTKBHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13-10-14(22-3)4-5-15(13)23(19,20)18-11-16(12-21-2)6-8-17-9-7-16/h4-5,10,17-18H,6-9,11-12H2,1-3H3.
What are the key properties of 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide?
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 120896693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).