N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide

C13H19FN4O3S — CID 119971247

IUPACN-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C13H19FN4O3S/c14-11-6-12(8-16-7-11)22(20,21)18-5-1-2-10(9-18)13(19)17-4-3-15/h6-8,10H,1-5,9,15H2,(H,17,19)
InChIKeySCPPMNHFUPYASF-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.30
Rot. Bonds5

About N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide (PubChem CID 119971247) has the molecular formula C13H19FN4O3S and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide
PubChem CID119971247
Molecular FormulaC13H19FN4O3S
Molecular Weight330.39 g/mol
Exact Mass330.12
IUPAC NameN-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C13H19FN4O3S/c14-11-6-12(8-16-7-11)22(20,21)18-5-1-2-10(9-18)13(19)17-4-3-15/h6-8,10H,1-5,9,15H2,(H,17,19)
InChIKeySCPPMNHFUPYASF-UHFFFAOYSA-N
XLogP-0.30
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide (CID 119971247) is N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(S(=O)(=O)c2cncc(F)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is SCPPMNHFUPYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O3S/c14-11-6-12(8-16-7-11)22(20,21)18-5-1-2-10(9-18)13(19)17-4-3-15/h6-8,10H,1-5,9,15H2,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119971247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).