1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide

C15H28N4O3S — CID 120896611

IUPAC1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCC2(COC)CCNCC2)c1C
InChIInChI=1S/C15H28N4O3S/c1-5-19-13(3)14(12(2)18-19)23(20,21)17-10-15(11-22-4)6-8-16-9-7-15/h16-17H,5-11H2,1-4H3
InChIKeyCQXSPBIUZHUXMT-UHFFFAOYSA-N
MW344.48 g/mol
LogP0.81
Rot. Bonds7

About 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide

1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 120896611) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID120896611
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCC2(COC)CCNCC2)c1C
InChIInChI=1S/C15H28N4O3S/c1-5-19-13(3)14(12(2)18-19)23(20,21)17-10-15(11-22-4)6-8-16-9-7-15/h16-17H,5-11H2,1-4H3
InChIKeyCQXSPBIUZHUXMT-UHFFFAOYSA-N
XLogP0.81
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 120896611) is 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCC2(COC)CCNCC2)c1C.
What is the InChIKey of 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is CQXSPBIUZHUXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-5-19-13(3)14(12(2)18-19)23(20,21)17-10-15(11-22-4)6-8-16-9-7-15/h16-17H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 344.48 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 120896611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).