N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide

C14H28N2O3S — CID 131929466

IUPACN-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCCOC1CCCC1)N1CCCCCC1
InChIInChI=1S/C14H28N2O3S/c17-20(18,16-11-5-1-2-6-12-16)15-10-7-13-19-14-8-3-4-9-14/h14-15H,1-13H2
InChIKeyMXWXPFLNQBQSFK-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.05
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide

N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide (PubChem CID 131929466) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
PubChem CID131929466
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCCOC1CCCC1)N1CCCCCC1
InChIInChI=1S/C14H28N2O3S/c17-20(18,16-11-5-1-2-6-12-16)15-10-7-13-19-14-8-3-4-9-14/h14-15H,1-13H2
InChIKeyMXWXPFLNQBQSFK-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide
CID 63869663
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
CID 106304904
N-(3-cyclohexyloxypropyl)propane-2-sulfonamide
CID 61363412
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
CID 94171929
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(3-cyanopropyl)azepane-1-sulfonamide
CID 62665686

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide (CID 131929466) is N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide is O=S(=O)(NCCCOC1CCCC1)N1CCCCCC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide?
The InChIKey is MXWXPFLNQBQSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c17-20(18,16-11-5-1-2-6-12-16)15-10-7-13-19-14-8-3-4-9-14/h14-15H,1-13H2.
What are the key properties of N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide?
N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide is sourced from PubChem (CID 131929466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).