N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide

C10H16N4O3S — CID 54877053

IUPACN-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H16N4O3S/c1-11-10(15)9-4-2-3-5-14(9)18(16,17)8-6-12-13-7-8/h6-7,9H,2-5H2,1H3,(H,11,15)(H,12,13)
InChIKeyYUCRNAFGXPODNL-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.30
Rot. Bonds3

About N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide

N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide (PubChem CID 54877053) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide
PubChem CID54877053
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H16N4O3S/c1-11-10(15)9-4-2-3-5-14(9)18(16,17)8-6-12-13-7-8/h6-7,9H,2-5H2,1H3,(H,11,15)(H,12,13)
InChIKeyYUCRNAFGXPODNL-UHFFFAOYSA-N
XLogP-0.30
TPSA95.16 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 ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide (CID 54877053) is N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide is CNC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide?
The InChIKey is YUCRNAFGXPODNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-11-10(15)9-4-2-3-5-14(9)18(16,17)8-6-12-13-7-8/h6-7,9H,2-5H2,1H3,(H,11,15)(H,12,13).
What are the key properties of N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide?
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxamide is sourced from PubChem (CID 54877053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).