5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C13H21N3O3S — CID 65386533

IUPAC5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCCCC1CCN(C(=O)c2cc(S(N)(=O)=O)c[nH]2)CC1
InChIInChI=1S/C13H21N3O3S/c1-2-3-10-4-6-16(7-5-10)13(17)12-8-11(9-15-12)20(14,18)19/h8-10,15H,2-7H2,1H3,(H2,14,18,19)
InChIKeyFPDRQFPAJOHYAI-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.31
Rot. Bonds4

About 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 65386533) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID65386533
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCCCC1CCN(C(=O)c2cc(S(N)(=O)=O)c[nH]2)CC1
InChIInChI=1S/C13H21N3O3S/c1-2-3-10-4-6-16(7-5-10)13(17)12-8-11(9-15-12)20(14,18)19/h8-10,15H,2-7H2,1H3,(H2,14,18,19)
InChIKeyFPDRQFPAJOHYAI-UHFFFAOYSA-N
XLogP1.31
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 65386533) is 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is CCCC1CCN(C(=O)c2cc(S(N)(=O)=O)c[nH]2)CC1.
What is the InChIKey of 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is FPDRQFPAJOHYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-3-10-4-6-16(7-5-10)13(17)12-8-11(9-15-12)20(14,18)19/h8-10,15H,2-7H2,1H3,(H2,14,18,19).
What are the key properties of 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 65386533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).