N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine

C14H16N4O2S — CID 53185431

IUPACN-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine
SMILESO=S(=O)(c1cccnc1)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C14H16N4O2S/c19-21(20,14-4-2-7-16-10-14)18-8-5-13(11-18)17-12-3-1-6-15-9-12/h1-4,6-7,9-10,13,17H,5,8,11H2
InChIKeyZSYIHLFKMPTJIV-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.35
Rot. Bonds4

About N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine

N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine (PubChem CID 53185431) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine
PubChem CID53185431
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine
SMILESO=S(=O)(c1cccnc1)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C14H16N4O2S/c19-21(20,14-4-2-7-16-10-14)18-8-5-13(11-18)17-12-3-1-6-15-9-12/h1-4,6-7,9-10,13,17H,5,8,11H2
InChIKeyZSYIHLFKMPTJIV-UHFFFAOYSA-N
XLogP1.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine?
The IUPAC name of N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine (CID 53185431) is N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine.
What is the SMILES notation for N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine?
The canonical SMILES for N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine is O=S(=O)(c1cccnc1)N1CCC(Nc2cccnc2)C1.
What is the InChIKey of N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine?
The InChIKey is ZSYIHLFKMPTJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-21(20,14-4-2-7-16-10-14)18-8-5-13(11-18)17-12-3-1-6-15-9-12/h1-4,6-7,9-10,13,17H,5,8,11H2.
What are the key properties of N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine?
N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine has a molecular weight of 304.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine is sourced from PubChem (CID 53185431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).