1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide

C16H31N3O4S2 — CID 22552790

IUPAC1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
SMILESCCCSCCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H31N3O4S2/c1-2-12-24-13-4-6-17-16(20)15-5-3-7-19(14-15)25(21,22)18-8-10-23-11-9-18/h15H,2-14H2,1H3,(H,17,20)
InChIKeyZMNXKENTGSWELW-UHFFFAOYSA-N
MW393.58 g/mol
LogP0.92
Rot. Bonds9

About 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide

1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide (PubChem CID 22552790) has the molecular formula C16H31N3O4S2 and a molecular weight of 393.58 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
PubChem CID22552790
Molecular FormulaC16H31N3O4S2
Molecular Weight393.58 g/mol
Exact Mass393.18
IUPAC Name1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
SMILESCCCSCCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H31N3O4S2/c1-2-12-24-13-4-6-17-16(20)15-5-3-7-19(14-15)25(21,22)18-8-10-23-11-9-18/h15H,2-14H2,1H3,(H,17,20)
InChIKeyZMNXKENTGSWELW-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 50.92
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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Related Compounds

N-(2-morpholin-4-ylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236583
1-(methylsulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 3238772
N-(3-morpholinopropyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4103105
N~3~-Isopentyl-1-(morpholinosulfonyl)-3-piperidinecarboxamide
CID 20911290
1-(ethylsulfonyl)-N-[3-(morpholin-4-yl)propyl]piperidine-3-carboxamide
CID 3451179
1-(ethylsulfonyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-3-carboxamide
CID 16490204
1-morpholin-4-ylsulfonyl-N-propylpiperidine-3-carboxamide
CID 22552751
N-(3-Methoxypropyl)-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide
CID 22552772
1-(morpholine-4-sulfonyl)-N-[3-(propan-2-yloxy)propyl]piperidine-3-carboxamide
CID 22552773
N-ethyl-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide
CID 22552778
N-[2-(methylthio)ethyl]-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 45172159
N-[3-(methylthio)propyl]-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 45234950

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide (CID 22552790) is 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide is CCCSCCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide?
The InChIKey is ZMNXKENTGSWELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4S2/c1-2-12-24-13-4-6-17-16(20)15-5-3-7-19(14-15)25(21,22)18-8-10-23-11-9-18/h15H,2-14H2,1H3,(H,17,20).
What are the key properties of 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide?
1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide has a molecular weight of 393.58 g/mol, XLogP of 0.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonyl-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 22552790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).