N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide

C13H27N3O2S — CID 54944041

IUPACN-(2-piperidin-4-ylethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCC1CCNCC1)N1CCCCCC1
InChIInChI=1S/C13H27N3O2S/c17-19(18,16-11-3-1-2-4-12-16)15-10-7-13-5-8-14-9-6-13/h13-15H,1-12H2
InChIKeyLLVJYIIQELMXAR-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.09
Rot. Bonds5

About N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide

N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide (PubChem CID 54944041) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-4-ylethyl)azepane-1-sulfonamide
PubChem CID54944041
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-(2-piperidin-4-ylethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCC1CCNCC1)N1CCCCCC1
InChIInChI=1S/C13H27N3O2S/c17-19(18,16-11-3-1-2-4-12-16)15-10-7-13-5-8-14-9-6-13/h13-15H,1-12H2
InChIKeyLLVJYIIQELMXAR-UHFFFAOYSA-N
XLogP1.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide (CID 54944041) is N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide is O=S(=O)(NCCC1CCNCC1)N1CCCCCC1.
What is the InChIKey of N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide?
The InChIKey is LLVJYIIQELMXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c17-19(18,16-11-3-1-2-4-12-16)15-10-7-13-5-8-14-9-6-13/h13-15H,1-12H2.
What are the key properties of N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide?
N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylethyl)azepane-1-sulfonamide is sourced from PubChem (CID 54944041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).