N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride

C13H25ClN4O3S — CID 120896458

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2c(C)n[nH]c2C)CCNCC1.Cl
InChIInChI=1S/C13H24N4O3S.ClH/c1-10-12(11(2)17-16-10)21(18,19)15-8-13(9-20-3)4-6-14-7-5-13;/h14-15H,4-9H2,1-3H3,(H,16,17);1H
InChIKeyIGZZWGSTUAFQDY-UHFFFAOYSA-N
MW352.89 g/mol
LogP0.74
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120896458) has the molecular formula C13H25ClN4O3S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
PubChem CID120896458
Molecular FormulaC13H25ClN4O3S
Molecular Weight352.89 g/mol
Exact Mass352.13
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2c(C)n[nH]c2C)CCNCC1.Cl
InChIInChI=1S/C13H24N4O3S.ClH/c1-10-12(11(2)17-16-10)21(18,19)15-8-13(9-20-3)4-6-14-7-5-13;/h14-15H,4-9H2,1-3H3,(H,16,17);1H
InChIKeyIGZZWGSTUAFQDY-UHFFFAOYSA-N
XLogP0.74
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 120896611
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113313701
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3,5-dimethyl-N-(4-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114696800
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120892057
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
N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65122316
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride (CID 120896458) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2c(C)n[nH]c2C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is IGZZWGSTUAFQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S.ClH/c1-10-12(11(2)17-16-10)21(18,19)15-8-13(9-20-3)4-6-14-7-5-13;/h14-15H,4-9H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120896458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).