methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride

C14H25ClN4O5S — CID 120896266

IUPACmethyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2cnn(CC(=O)OC)c2)CCNCC1.Cl
InChIInChI=1S/C14H24N4O5S.ClH/c1-22-11-14(3-5-15-6-4-14)10-17-24(20,21)12-7-16-18(8-12)9-13(19)23-2;/h7-8,15,17H,3-6,9-11H2,1-2H3;1H
InChIKeyLFIITWGJZHOABQ-UHFFFAOYSA-N
MW396.90 g/mol
LogP-0.23
Rot. Bonds8

About methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride

methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride (PubChem CID 120896266) has the molecular formula C14H25ClN4O5S and a molecular weight of 396.90 g/mol. Its IUPAC name is methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
PubChem CID120896266
Molecular FormulaC14H25ClN4O5S
Molecular Weight396.90 g/mol
Exact Mass396.12
IUPAC Namemethyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2cnn(CC(=O)OC)c2)CCNCC1.Cl
InChIInChI=1S/C14H24N4O5S.ClH/c1-22-11-14(3-5-15-6-4-14)10-17-24(20,21)12-7-16-18(8-12)9-13(19)23-2;/h7-8,15,17H,3-6,9-11H2,1-2H3;1H
InChIKeyLFIITWGJZHOABQ-UHFFFAOYSA-N
XLogP-0.23
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574
1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
CID 120896419
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
CID 120896824
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
methyl 2-[4-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]pyrazol-1-yl]acetate
CID 120778508
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride (CID 120896266) is methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride is COCC1(CNS(=O)(=O)c2cnn(CC(=O)OC)c2)CCNCC1.Cl.
What is the InChIKey of methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride?
The InChIKey is LFIITWGJZHOABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5S.ClH/c1-22-11-14(3-5-15-6-4-14)10-17-24(20,21)12-7-16-18(8-12)9-13(19)23-2;/h7-8,15,17H,3-6,9-11H2,1-2H3;1H.
What are the key properties of methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride?
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride has a molecular weight of 396.90 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 120896266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).