1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide

C11H16N4O3S — CID 29368795

IUPAC1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C11H16N4O3S/c1-19(17,18)15-7-3-9(4-8-15)10(16)14-11-12-5-2-6-13-11/h2,5-6,9H,3-4,7-8H2,1H3,(H,12,13,14,16)
InChIKeyWJGNFMAHKXQQPC-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.09
Rot. Bonds3

About 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 29368795) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID29368795
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C11H16N4O3S/c1-19(17,18)15-7-3-9(4-8-15)10(16)14-11-12-5-2-6-13-11/h2,5-6,9H,3-4,7-8H2,1H3,(H,12,13,14,16)
InChIKeyWJGNFMAHKXQQPC-UHFFFAOYSA-N
XLogP0.09
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
1-[(Pyrimidin-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 752300
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
N-(2-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}ethyl)cyclopropanecarboxamide
CID 25285286
N-(2-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}ethyl)cyclopentanecarboxamide
CID 25285289
2-cyclopentyl-N-(2-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}ethyl)acetamide
CID 25285295
1-methylsulfonyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 45815698
1-(cyclopropanecarbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501322
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867
N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 53189393
1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxamide
CID 53338826

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 29368795) is 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ncccn2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is WJGNFMAHKXQQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-19(17,18)15-7-3-9(4-8-15)10(16)14-11-12-5-2-6-13-11/h2,5-6,9H,3-4,7-8H2,1H3,(H,12,13,14,16).
What are the key properties of 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 29368795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).