3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine

C12H26N2O3S — CID 54972022

IUPAC3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
SMILESCOC1CCN(S(=O)(=O)CCCNC(C)C)CC1
InChIInChI=1S/C12H26N2O3S/c1-11(2)13-7-4-10-18(15,16)14-8-5-12(17-3)6-9-14/h11-13H,4-10H2,1-3H3
InChIKeyATSFUSSHIBJRTP-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds7

About 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine

3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine (PubChem CID 54972022) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
PubChem CID54972022
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
SMILESCOC1CCN(S(=O)(=O)CCCNC(C)C)CC1
InChIInChI=1S/C12H26N2O3S/c1-11(2)13-7-4-10-18(15,16)14-8-5-12(17-3)6-9-14/h11-13H,4-10H2,1-3H3
InChIKeyATSFUSSHIBJRTP-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine (CID 54972022) is 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine is COC1CCN(S(=O)(=O)CCCNC(C)C)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ATSFUSSHIBJRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(2)13-7-4-10-18(15,16)14-8-5-12(17-3)6-9-14/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 54972022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).