1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide

C10H16N4O3S — CID 43429735

IUPAC1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)14-4-2-8(3-5-14)10(15)13-9-6-11-12-7-9/h6-8H,2-5H2,1H3,(H,11,12)(H,13,15)
InChIKeyUOLWSJKZYGGEOP-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.02
Rot. Bonds3

About 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide

1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 43429735) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
PubChem CID43429735
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)14-4-2-8(3-5-14)10(15)13-9-6-11-12-7-9/h6-8H,2-5H2,1H3,(H,11,12)(H,13,15)
InChIKeyUOLWSJKZYGGEOP-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide (CID 43429735) is 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is UOLWSJKZYGGEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-18(16,17)14-4-2-8(3-5-14)10(15)13-9-6-11-12-7-9/h6-8H,2-5H2,1H3,(H,11,12)(H,13,15).
What are the key properties of 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43429735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).