1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide

C16H26N2O4S — CID 2991130

IUPAC1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)N1CCC(C(N)=O)CC1)C(=O)C2
InChIInChI=1S/C16H26N2O4S/c1-15(2)12-3-6-16(15,13(19)9-12)10-23(21,22)18-7-4-11(5-8-18)14(17)20/h11-12H,3-10H2,1-2H3,(H2,17,20)
InChIKeyGGNNTTHCKLPWOW-UHFFFAOYSA-N
MW342.46 g/mol
LogP0.91
Rot. Bonds4

About 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide

1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 2991130) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID2991130
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)N1CCC(C(N)=O)CC1)C(=O)C2
InChIInChI=1S/C16H26N2O4S/c1-15(2)12-3-6-16(15,13(19)9-12)10-23(21,22)18-7-4-11(5-8-18)14(17)20/h11-12H,3-10H2,1-2H3,(H2,17,20)
InChIKeyGGNNTTHCKLPWOW-UHFFFAOYSA-N
XLogP0.91
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide (CID 2991130) is 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide is CC1(C)C2CCC1(CS(=O)(=O)N1CCC(C(N)=O)CC1)C(=O)C2.
What is the InChIKey of 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is GGNNTTHCKLPWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-15(2)12-3-6-16(15,13(19)9-12)10-23(21,22)18-7-4-11(5-8-18)14(17)20/h11-12H,3-10H2,1-2H3,(H2,17,20).
What are the key properties of 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide?
1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 2991130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).