(1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C16H25N5O3S — CID 121178080

IUPAC(1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2C3CCC2CC(n2nccn2)C3)CC1
InChIInChI=1S/C16H25N5O3S/c1-25(23,24)19-8-4-12(5-9-19)16(22)20-13-2-3-14(20)11-15(10-13)21-17-6-7-18-21/h6-7,12-15H,2-5,8-11H2,1H3
InChIKeyHJXFQDDCPRDVAA-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.64
Rot. Bonds3

About (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 121178080) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID121178080
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2C3CCC2CC(n2nccn2)C3)CC1
InChIInChI=1S/C16H25N5O3S/c1-25(23,24)19-8-4-12(5-9-19)16(22)20-13-2-3-14(20)11-15(10-13)21-17-6-7-18-21/h6-7,12-15H,2-5,8-11H2,1H3
InChIKeyHJXFQDDCPRDVAA-UHFFFAOYSA-N
XLogP0.64
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Related Compounds

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CID 82044409
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CID 98058449
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CID 110728182
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CID 26020158
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451
cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 119101736
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 160908766
[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 96535829
4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one
CID 35795581
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 121178080) is (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is CS(=O)(=O)N1CCC(C(=O)N2C3CCC2CC(n2nccn2)C3)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is HJXFQDDCPRDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-25(23,24)19-8-4-12(5-9-19)16(22)20-13-2-3-14(20)11-15(10-13)21-17-6-7-18-21/h6-7,12-15H,2-5,8-11H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 367.48 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 121178080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).