N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide

C16H27N3O3S — CID 51076118

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCC(c1ccco1)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C16H27N3O3S/c20-23(21,19-11-5-2-6-12-19)17-14-15(16-8-7-13-22-16)18-9-3-1-4-10-18/h7-8,13,15,17H,1-6,9-12,14H2
InChIKeyXZHXXUVCBJFSDU-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide (PubChem CID 51076118) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
PubChem CID51076118
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCC(c1ccco1)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C16H27N3O3S/c20-23(21,19-11-5-2-6-12-19)17-14-15(16-8-7-13-22-16)18-9-3-1-4-10-18/h7-8,13,15,17H,1-6,9-12,14H2
InChIKeyXZHXXUVCBJFSDU-UHFFFAOYSA-N
XLogP2.13
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide (CID 51076118) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide is O=S(=O)(NCC(c1ccco1)N1CCCCC1)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide?
The InChIKey is XZHXXUVCBJFSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c20-23(21,19-11-5-2-6-12-19)17-14-15(16-8-7-13-22-16)18-9-3-1-4-10-18/h7-8,13,15,17H,1-6,9-12,14H2.
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 51076118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).