N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine

C11H24N2O3S — CID 54972725

IUPACN-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine
SMILESCOC1CCN(S(=O)(=O)CCNC(C)C)CC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-6-9-17(14,15)13-7-4-11(16-3)5-8-13/h10-12H,4-9H2,1-3H3
InChIKeyKCLKAQQQGLNCSR-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds6

About N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine

N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine (PubChem CID 54972725) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine
PubChem CID54972725
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine
SMILESCOC1CCN(S(=O)(=O)CCNC(C)C)CC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-6-9-17(14,15)13-7-4-11(16-3)5-8-13/h10-12H,4-9H2,1-3H3
InChIKeyKCLKAQQQGLNCSR-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine (CID 54972725) is N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine is COC1CCN(S(=O)(=O)CCNC(C)C)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine?
The InChIKey is KCLKAQQQGLNCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)12-6-9-17(14,15)13-7-4-11(16-3)5-8-13/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine?
N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine is sourced from PubChem (CID 54972725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).