N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride

C12H23ClN4O3S — CID 120896574

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2cnn(C)c2)CCNCC1.Cl
InChIInChI=1S/C12H22N4O3S.ClH/c1-16-8-11(7-14-16)20(17,18)15-9-12(10-19-2)3-5-13-6-4-12;/h7-8,13,15H,3-6,9-10H2,1-2H3;1H
InChIKeyPGIQOOMTDWVNFG-UHFFFAOYSA-N
MW338.86 g/mol
LogP0.14
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 120896574) has the molecular formula C12H23ClN4O3S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
PubChem CID120896574
Molecular FormulaC12H23ClN4O3S
Molecular Weight338.86 g/mol
Exact Mass338.12
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2cnn(C)c2)CCNCC1.Cl
InChIInChI=1S/C12H22N4O3S.ClH/c1-16-8-11(7-14-16)20(17,18)15-9-12(10-19-2)3-5-13-6-4-12;/h7-8,13,15H,3-6,9-10H2,1-2H3;1H
InChIKeyPGIQOOMTDWVNFG-UHFFFAOYSA-N
XLogP0.14
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
CID 120896266
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584
1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
CID 120896419
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-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115456681
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 120896388
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120896389

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride (CID 120896574) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2cnn(C)c2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is PGIQOOMTDWVNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S.ClH/c1-16-8-11(7-14-16)20(17,18)15-9-12(10-19-2)3-5-13-6-4-12;/h7-8,13,15H,3-6,9-10H2,1-2H3;1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120896574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).