4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide

C11H16N4O3S — CID 47267301

IUPAC4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C11H16N4O3S/c1-19(17,18)15-8-6-14(7-9-15)11(16)13-10-4-2-3-5-12-10/h2-5H,6-9H2,1H3,(H,12,13,16)
InChIKeyHGVHDCOFGVQPOW-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.19
Rot. Bonds2

About 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide

4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 47267301) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID47267301
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C11H16N4O3S/c1-19(17,18)15-8-6-14(7-9-15)11(16)13-10-4-2-3-5-12-10/h2-5H,6-9H2,1H3,(H,12,13,16)
InChIKeyHGVHDCOFGVQPOW-UHFFFAOYSA-N
XLogP0.19
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
4-methylsulfonyl-N-(2-pyridin-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 119069721
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
4-[3-hydroxypropyl(methyl)amino]-N-pyridin-2-ylpiperidine-1-carboxamide
CID 71931015
N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide
CID 146092173
2-oxo-N-pyridin-2-ylimidazolidine-1-carboxamide
CID 679208
(3S)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-phenyl-3-pyridin-2-ylpropan-1-one
CID 97283122
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 136538713
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide (CID 47267301) is 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is HGVHDCOFGVQPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-19(17,18)15-8-6-14(7-9-15)11(16)13-10-4-2-3-5-12-10/h2-5H,6-9H2,1H3,(H,12,13,16).
What are the key properties of 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide?
4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 47267301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).