6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide

C10H16N4O3S — CID 47268283

IUPAC6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H16N4O3S/c1-7-2-3-8(10(11)15)6-14(7)18(16,17)9-4-12-13-5-9/h4-5,7-8H,2-3,6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyDIMFNLZUXVTPBN-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.32
Rot. Bonds3

About 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide

6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 47268283) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
PubChem CID47268283
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H16N4O3S/c1-7-2-3-8(10(11)15)6-14(7)18(16,17)9-4-12-13-5-9/h4-5,7-8H,2-3,6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyDIMFNLZUXVTPBN-UHFFFAOYSA-N
XLogP-0.32
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide (CID 47268283) is 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is DIMFNLZUXVTPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-7-2-3-8(10(11)15)6-14(7)18(16,17)9-4-12-13-5-9/h4-5,7-8H,2-3,6H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide?
6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 272.33 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 47268283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).