N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H28N2O3S — CID 17022460

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1CC2CCC1C2
InChIInChI=1S/C16H28N2O3S/c1-11(15-10-12-3-4-14(15)9-12)17-16(19)13-5-7-18(8-6-13)22(2,20)21/h11-15H,3-10H2,1-2H3,(H,17,19)
InChIKeyFHJCMIABCTVYDC-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.60
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 17022460) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID17022460
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1CC2CCC1C2
InChIInChI=1S/C16H28N2O3S/c1-11(15-10-12-3-4-14(15)9-12)17-16(19)13-5-7-18(8-6-13)22(2,20)21/h11-15H,3-10H2,1-2H3,(H,17,19)
InChIKeyFHJCMIABCTVYDC-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 17022460) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is FHJCMIABCTVYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-11(15-10-12-3-4-14(15)9-12)17-16(19)13-5-7-18(8-6-13)22(2,20)21/h11-15H,3-10H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17022460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).