N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride

C13H24ClN3O4S — CID 120896778

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2c(C)noc2C)CCNCC1.Cl
InChIInChI=1S/C13H23N3O4S.ClH/c1-10-12(11(2)20-16-10)21(17,18)15-8-13(9-19-3)4-6-14-7-5-13;/h14-15H,4-9H2,1-3H3;1H
InChIKeyZAEPCJVPVIGOPD-UHFFFAOYSA-N
MW353.87 g/mol
LogP1.01
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 120896778) has the molecular formula C13H24ClN3O4S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID120896778
Molecular FormulaC13H24ClN3O4S
Molecular Weight353.87 g/mol
Exact Mass353.12
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2c(C)noc2C)CCNCC1.Cl
InChIInChI=1S/C13H23N3O4S.ClH/c1-10-12(11(2)20-16-10)21(17,18)15-8-13(9-19-3)4-6-14-7-5-13;/h14-15H,4-9H2,1-3H3;1H
InChIKeyZAEPCJVPVIGOPD-UHFFFAOYSA-N
XLogP1.01
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120896458
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 120896611
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
CID 120896062
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120887952
N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97414697
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574
methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120896340
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride (CID 120896778) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2c(C)noc2C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is ZAEPCJVPVIGOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S.ClH/c1-10-12(11(2)20-16-10)21(17,18)15-8-13(9-19-3)4-6-14-7-5-13;/h14-15H,4-9H2,1-3H3;1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 353.87 g/mol, XLogP of 1.01, 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]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120896778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).