6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C11H18N4O3S — CID 47319740

IUPAC6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H18N4O3S/c1-8-3-4-9(11(12)16)6-15(8)19(17,18)10-5-13-14(2)7-10/h5,7-9H,3-4,6H2,1-2H3,(H2,12,16)
InChIKeyULSHMKIIGLRAMB-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.31
Rot. Bonds3

About 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 47319740) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID47319740
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H18N4O3S/c1-8-3-4-9(11(12)16)6-15(8)19(17,18)10-5-13-14(2)7-10/h5,7-9H,3-4,6H2,1-2H3,(H2,12,16)
InChIKeyULSHMKIIGLRAMB-UHFFFAOYSA-N
XLogP-0.31
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 47319740) is 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ULSHMKIIGLRAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-3-4-9(11(12)16)6-15(8)19(17,18)10-5-13-14(2)7-10/h5,7-9H,3-4,6H2,1-2H3,(H2,12,16).
What are the key properties of 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 47319740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).