1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

C14H27N3O4S — CID 3238772

IUPAC1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C14H27N3O4S/c1-22(19,20)17-7-2-4-13(12-17)14(18)15-5-3-6-16-8-10-21-11-9-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyUHDJRHMVTFOLAK-UHFFFAOYSA-N
MW333.45 g/mol
LogP-0.50
Rot. Bonds6

About 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 3238772) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID3238772
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C14H27N3O4S/c1-22(19,20)17-7-2-4-13(12-17)14(18)15-5-3-6-16-8-10-21-11-9-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyUHDJRHMVTFOLAK-UHFFFAOYSA-N
XLogP-0.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide 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 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (CID 3238772) is 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is UHDJRHMVTFOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-22(19,20)17-7-2-4-13(12-17)14(18)15-5-3-6-16-8-10-21-11-9-16/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 333.45 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3238772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).