N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide

C14H24N4O2S — CID 123967160

IUPACN-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1
InChIInChI=1S/C14H24N4O2S/c1-2-11-21(19,20)18(14-3-6-15-7-4-14)10-5-13-12-16-8-9-17-13/h8-9,12,14-15H,2-7,10-11H2,1H3
InChIKeyWVVDUXKVJZOWKK-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.81
Rot. Bonds7

About N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide

N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide (PubChem CID 123967160) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide
PubChem CID123967160
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1
InChIInChI=1S/C14H24N4O2S/c1-2-11-21(19,20)18(14-3-6-15-7-4-14)10-5-13-12-16-8-9-17-13/h8-9,12,14-15H,2-7,10-11H2,1H3
InChIKeyWVVDUXKVJZOWKK-UHFFFAOYSA-N
XLogP0.81
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide (CID 123967160) is N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide?
The InChIKey is WVVDUXKVJZOWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-2-11-21(19,20)18(14-3-6-15-7-4-14)10-5-13-12-16-8-9-17-13/h8-9,12,14-15H,2-7,10-11H2,1H3.
What are the key properties of N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide?
N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 123967160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).