N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide

C16H31N3O4S — CID 4103105

IUPACN-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C16H31N3O4S/c1-2-13-24(21,22)19-8-3-5-15(14-19)16(20)17-6-4-7-18-9-11-23-12-10-18/h15H,2-14H2,1H3,(H,17,20)
InChIKeyDSUWYTKZKMTWLS-UHFFFAOYSA-N
MW361.51 g/mol
LogP0.28
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 4103105) has the molecular formula C16H31N3O4S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID4103105
Molecular FormulaC16H31N3O4S
Molecular Weight361.51 g/mol
Exact Mass361.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C16H31N3O4S/c1-2-13-24(21,22)19-8-3-5-15(14-19)16(20)17-6-4-7-18-9-11-23-12-10-18/h15H,2-14H2,1H3,(H,17,20)
InChIKeyDSUWYTKZKMTWLS-UHFFFAOYSA-N
XLogP0.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 4103105) is N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is DSUWYTKZKMTWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4S/c1-2-13-24(21,22)19-8-3-5-15(14-19)16(20)17-6-4-7-18-9-11-23-12-10-18/h15H,2-14H2,1H3,(H,17,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4103105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).