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

C15H26N4O2S — CID 70653660

IUPACN-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1
InChIInChI=1S/C15H26N4O2S/c1-2-3-12-22(20,21)19(15-4-7-16-8-5-15)11-6-14-13-17-9-10-18-14/h9-10,13,15-16H,2-8,11-12H2,1H3
InChIKeyOCXMXNPZWQHWIX-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.20
Rot. Bonds8

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

N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide (PubChem CID 70653660) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide
PubChem CID70653660
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1
InChIInChI=1S/C15H26N4O2S/c1-2-3-12-22(20,21)19(15-4-7-16-8-5-15)11-6-14-13-17-9-10-18-14/h9-10,13,15-16H,2-8,11-12H2,1H3
InChIKeyOCXMXNPZWQHWIX-UHFFFAOYSA-N
XLogP1.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.20
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)butane-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide (CID 70653660) is N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide?
The InChIKey is OCXMXNPZWQHWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-2-3-12-22(20,21)19(15-4-7-16-8-5-15)11-6-14-13-17-9-10-18-14/h9-10,13,15-16H,2-8,11-12H2,1H3.
What are the key properties of N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide?
N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.20, 8 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)butane-1-sulfonamide is sourced from PubChem (CID 70653660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).