N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide

C13H20N4O3S — CID 62146358

IUPACN-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NC2CCCNC2=O)ccn1
InChIInChI=1S/C13H20N4O3S/c1-2-6-14-12-9-10(5-8-15-12)21(19,20)17-11-4-3-7-16-13(11)18/h5,8-9,11,17H,2-4,6-7H2,1H3,(H,14,15)(H,16,18)
InChIKeyWCGUTIHYJNJGKJ-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.46
Rot. Bonds6

About N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide

N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide (PubChem CID 62146358) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide
PubChem CID62146358
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NC2CCCNC2=O)ccn1
InChIInChI=1S/C13H20N4O3S/c1-2-6-14-12-9-10(5-8-15-12)21(19,20)17-11-4-3-7-16-13(11)18/h5,8-9,11,17H,2-4,6-7H2,1H3,(H,14,15)(H,16,18)
InChIKeyWCGUTIHYJNJGKJ-UHFFFAOYSA-N
XLogP0.46
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide (CID 62146358) is N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)NC2CCCNC2=O)ccn1.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide?
The InChIKey is WCGUTIHYJNJGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-6-14-12-9-10(5-8-15-12)21(19,20)17-11-4-3-7-16-13(11)18/h5,8-9,11,17H,2-4,6-7H2,1H3,(H,14,15)(H,16,18).
What are the key properties of N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide?
N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62146358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).