4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine

C12H26N2O2S — CID 62205256

IUPAC4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
SMILESCCCC1CCN(S(=O)(=O)CCCCN)CC1
InChIInChI=1S/C12H26N2O2S/c1-2-5-12-6-9-14(10-7-12)17(15,16)11-4-3-8-13/h12H,2-11,13H2,1H3
InChIKeyOOXJGCKKIDUYQK-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.57
Rot. Bonds7

About 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine

4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine (PubChem CID 62205256) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
PubChem CID62205256
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
SMILESCCCC1CCN(S(=O)(=O)CCCCN)CC1
InChIInChI=1S/C12H26N2O2S/c1-2-5-12-6-9-14(10-7-12)17(15,16)11-4-3-8-13/h12H,2-11,13H2,1H3
InChIKeyOOXJGCKKIDUYQK-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine?
The IUPAC name of 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine (CID 62205256) is 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine.
What is the SMILES notation for 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine?
The canonical SMILES for 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine is CCCC1CCN(S(=O)(=O)CCCCN)CC1.
What is the InChIKey of 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine?
The InChIKey is OOXJGCKKIDUYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-5-12-6-9-14(10-7-12)17(15,16)11-4-3-8-13/h12H,2-11,13H2,1H3.
What are the key properties of 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine?
4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine is sourced from PubChem (CID 62205256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).