1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide

C18H30N2O3S — CID 43063099

IUPAC1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CC3CC2C2CCCC32)CC1
InChIInChI=1S/C18H30N2O3S/c1-2-24(22,23)20-8-6-12(7-9-20)18(21)19-17-11-13-10-16(17)15-5-3-4-14(13)15/h12-17H,2-11H2,1H3,(H,19,21)
InChIKeyDHEKTMKCPTVZIR-UHFFFAOYSA-N
MW354.52 g/mol
LogP1.99
Rot. Bonds4

About 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide (PubChem CID 43063099) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
PubChem CID43063099
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CC3CC2C2CCCC32)CC1
InChIInChI=1S/C18H30N2O3S/c1-2-24(22,23)20-8-6-12(7-9-20)18(21)19-17-11-13-10-16(17)15-5-3-4-14(13)15/h12-17H,2-11H2,1H3,(H,19,21)
InChIKeyDHEKTMKCPTVZIR-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(bicyclo[2.2.1]hept-2-yl)ethyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022460
1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
CID 42952137
N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
CID 43710185
2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 43710204
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 45768611
N-(bicyclo[2.2.1]hept-2-yl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 50946743
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 53547761
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 55765140
2-(2-methylpropylsulfonyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 72154432
3-(2-methylpropylsulfonyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 72154836
1-ethylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 78813006
2-(1,1-dioxothiolan-3-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 86931848

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide (CID 43063099) is 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC2CC3CC2C2CCCC32)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide?
The InChIKey is DHEKTMKCPTVZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-2-24(22,23)20-8-6-12(7-9-20)18(21)19-17-11-13-10-16(17)15-5-3-4-14(13)15/h12-17H,2-11H2,1H3,(H,19,21).
What are the key properties of 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide has a molecular weight of 354.52 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide is sourced from PubChem (CID 43063099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).