N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide

C13H21N5O2S — CID 61253505

IUPACN-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1cccnc1N1CCCC1)N1CCNCC1
InChIInChI=1S/C13H21N5O2S/c19-21(20,18-10-6-14-7-11-18)16-12-4-3-5-15-13(12)17-8-1-2-9-17/h3-5,14,16H,1-2,6-11H2
InChIKeyGBZVSNJMXXVBKA-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.24
Rot. Bonds4

About N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide

N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide (PubChem CID 61253505) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide
PubChem CID61253505
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1cccnc1N1CCCC1)N1CCNCC1
InChIInChI=1S/C13H21N5O2S/c19-21(20,18-10-6-14-7-11-18)16-12-4-3-5-15-13(12)17-8-1-2-9-17/h3-5,14,16H,1-2,6-11H2
InChIKeyGBZVSNJMXXVBKA-UHFFFAOYSA-N
XLogP0.24
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide (CID 61253505) is N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide is O=S(=O)(Nc1cccnc1N1CCCC1)N1CCNCC1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide?
The InChIKey is GBZVSNJMXXVBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c19-21(20,18-10-6-14-7-11-18)16-12-4-3-5-15-13(12)17-8-1-2-9-17/h3-5,14,16H,1-2,6-11H2.
What are the key properties of N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide?
N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61253505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).