methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride

C14H23ClN2O6S — CID 120896340

IUPACmethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(C(=O)OC)o2)CCNCC1.Cl
InChIInChI=1S/C14H22N2O6S.ClH/c1-20-10-14(5-7-15-8-6-14)9-16-23(18,19)12-4-3-11(22-12)13(17)21-2;/h3-4,15-16H,5-10H2,1-2H3;1H
InChIKeyOKZPOUGSUOHYOI-UHFFFAOYSA-N
MW382.87 g/mol
LogP0.78
Rot. Bonds7

About methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride

methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride (PubChem CID 120896340) has the molecular formula C14H23ClN2O6S and a molecular weight of 382.87 g/mol. Its IUPAC name is methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride
PubChem CID120896340
Molecular FormulaC14H23ClN2O6S
Molecular Weight382.87 g/mol
Exact Mass382.10
IUPAC Namemethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(C(=O)OC)o2)CCNCC1.Cl
InChIInChI=1S/C14H22N2O6S.ClH/c1-20-10-14(5-7-15-8-6-14)9-16-23(18,19)12-4-3-11(22-12)13(17)21-2;/h3-4,15-16H,5-10H2,1-2H3;1H
InChIKeyOKZPOUGSUOHYOI-UHFFFAOYSA-N
XLogP0.78
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate
CID 120896379
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
CID 120896062
N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 120896924
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
CID 120896824
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896352
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120896104
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride (CID 120896340) is methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride is COCC1(CNS(=O)(=O)c2ccc(C(=O)OC)o2)CCNCC1.Cl.
What is the InChIKey of methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride?
The InChIKey is OKZPOUGSUOHYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S.ClH/c1-20-10-14(5-7-15-8-6-14)9-16-23(18,19)12-4-3-11(22-12)13(17)21-2;/h3-4,15-16H,5-10H2,1-2H3;1H.
What are the key properties of methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride?
methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 120896340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).