1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide

C18H32N2O3S — CID 78813006

IUPAC1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CC3CCC2(C)C3(C)C)CC1
InChIInChI=1S/C18H32N2O3S/c1-5-24(22,23)20-10-7-13(8-11-20)16(21)19-15-12-14-6-9-18(15,4)17(14,2)3/h13-15H,5-12H2,1-4H3,(H,19,21)
InChIKeyASUZFFOPGJZJPO-UHFFFAOYSA-N
MW356.53 g/mol
LogP2.38
Rot. Bonds4

About 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide (PubChem CID 78813006) has the molecular formula C18H32N2O3S and a molecular weight of 356.53 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
PubChem CID78813006
Molecular FormulaC18H32N2O3S
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC Name1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CC3CCC2(C)C3(C)C)CC1
InChIInChI=1S/C18H32N2O3S/c1-5-24(22,23)20-10-7-13(8-11-20)16(21)19-15-12-14-6-9-18(15,4)17(14,2)3/h13-15H,5-12H2,1-4H3,(H,19,21)
InChIKeyASUZFFOPGJZJPO-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide (CID 78813006) is 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC2CC3CCC2(C)C3(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The InChIKey is ASUZFFOPGJZJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3S/c1-5-24(22,23)20-10-7-13(8-11-20)16(21)19-15-12-14-6-9-18(15,4)17(14,2)3/h13-15H,5-12H2,1-4H3,(H,19,21).
What are the key properties of 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide has a molecular weight of 356.53 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide is sourced from PubChem (CID 78813006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).