1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine

C11H23N3O2S — CID 115277187

IUPAC1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine
SMILESCN1CCC(S(=O)(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C11H23N3O2S/c1-13-7-4-11(5-8-13)17(15,16)14-6-2-3-10(12)9-14/h10-11H,2-9,12H2,1H3
InChIKeyJYVPAOHORMTUNM-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.17
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine

1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine (PubChem CID 115277187) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine
PubChem CID115277187
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine
SMILESCN1CCC(S(=O)(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C11H23N3O2S/c1-13-7-4-11(5-8-13)17(15,16)14-6-2-3-10(12)9-14/h10-11H,2-9,12H2,1H3
InChIKeyJYVPAOHORMTUNM-UHFFFAOYSA-N
XLogP-0.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine (CID 115277187) is 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine is CN1CCC(S(=O)(=O)N2CCCC(N)C2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine?
The InChIKey is JYVPAOHORMTUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-13-7-4-11(5-8-13)17(15,16)14-6-2-3-10(12)9-14/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine?
1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine has a molecular weight of 261.39 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 115277187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).