[5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

C16H28N2O3S2 — CID 142694319

IUPAC[5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCCCCOC1CCN(S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C16H28N2O3S2/c1-2-3-4-5-12-21-14-8-10-18(11-9-14)23(19,20)16-7-6-15(13-17)22-16/h6-7,14H,2-5,8-13,17H2,1H3
InChIKeyFKUXZYNKXBDJSN-UHFFFAOYSA-N
MW360.55 g/mol
LogP2.96
Rot. Bonds9

About [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

[5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 142694319) has the molecular formula C16H28N2O3S2 and a molecular weight of 360.55 g/mol. Its IUPAC name is [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID142694319
Molecular FormulaC16H28N2O3S2
Molecular Weight360.55 g/mol
Exact Mass360.15
IUPAC Name[5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCCCCOC1CCN(S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C16H28N2O3S2/c1-2-3-4-5-12-21-14-8-10-18(11-9-14)23(19,20)16-7-6-15(13-17)22-16/h6-7,14H,2-5,8-13,17H2,1H3
InChIKeyFKUXZYNKXBDJSN-UHFFFAOYSA-N
XLogP2.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 142694319) is [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is CCCCCCOC1CCN(S(=O)(=O)c2ccc(CN)s2)CC1.
What is the InChIKey of [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is FKUXZYNKXBDJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S2/c1-2-3-4-5-12-21-14-8-10-18(11-9-14)23(19,20)16-7-6-15(13-17)22-16/h6-7,14H,2-5,8-13,17H2,1H3.
What are the key properties of [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
[5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 360.55 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 142694319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).