N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide

C17H28N2O3S — CID 51075647

IUPACN-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H28N2O3S/c1-23(21,22)19-4-2-3-15(11-19)16(20)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20)
InChIKeyIWDLEKFLALJSNU-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.74
Rot. Bonds3

About N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 51075647) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID51075647
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H28N2O3S/c1-23(21,22)19-4-2-3-15(11-19)16(20)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20)
InChIKeyIWDLEKFLALJSNU-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941058
(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 99719214
(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304
N-(1-adamantyl)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3230744
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
N-(1-adamantyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 41466824
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide
CID 83206976
N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43417208
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224246

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 51075647) is N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is IWDLEKFLALJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-23(21,22)19-4-2-3-15(11-19)16(20)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51075647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).