1-butylsulfonylpiperidin-4-amine

C9H20N2O2S — CID 16772062

IUPAC1-butylsulfonylpiperidin-4-amine
SMILESCCCCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-3-8-14(12,13)11-6-4-9(10)5-7-11/h9H,2-8,10H2,1H3
InChIKeyRDSDXWNXGUSYTP-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.54
Rot. Bonds4

About 1-butylsulfonylpiperidin-4-amine

1-butylsulfonylpiperidin-4-amine (PubChem CID 16772062) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-butylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-butylsulfonylpiperidin-4-amine
PubChem CID16772062
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-butylsulfonylpiperidin-4-amine
SMILESCCCCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-3-8-14(12,13)11-6-4-9(10)5-7-11/h9H,2-8,10H2,1H3
InChIKeyRDSDXWNXGUSYTP-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonylpiperidin-4-amine?
The IUPAC name of 1-butylsulfonylpiperidin-4-amine (CID 16772062) is 1-butylsulfonylpiperidin-4-amine.
What is the SMILES notation for 1-butylsulfonylpiperidin-4-amine?
The canonical SMILES for 1-butylsulfonylpiperidin-4-amine is CCCCS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-butylsulfonylpiperidin-4-amine?
The InChIKey is RDSDXWNXGUSYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-3-8-14(12,13)11-6-4-9(10)5-7-11/h9H,2-8,10H2,1H3.
What are the key properties of 1-butylsulfonylpiperidin-4-amine?
1-butylsulfonylpiperidin-4-amine has a molecular weight of 220.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonylpiperidin-4-amine is sourced from PubChem (CID 16772062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).