5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide

C13H25ClN2O3S — CID 43696327

IUPAC5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CCCCCl)CC1
InChIInChI=1S/C13H25ClN2O3S/c1-2-11-20(18,19)16-9-6-12(7-10-16)15-13(17)5-3-4-8-14/h12H,2-11H2,1H3,(H,15,17)
InChIKeyMMHQFJINPBXPNM-UHFFFAOYSA-N
MW324.87 g/mol
LogP1.72
Rot. Bonds8

About 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide

5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide (PubChem CID 43696327) has the molecular formula C13H25ClN2O3S and a molecular weight of 324.87 g/mol. Its IUPAC name is 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
PubChem CID43696327
Molecular FormulaC13H25ClN2O3S
Molecular Weight324.87 g/mol
Exact Mass324.13
IUPAC Name5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CCCCCl)CC1
InChIInChI=1S/C13H25ClN2O3S/c1-2-11-20(18,19)16-9-6-12(7-10-16)15-13(17)5-3-4-8-14/h12H,2-11H2,1H3,(H,15,17)
InChIKeyMMHQFJINPBXPNM-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.87
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
CID 54877232
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
CID 61275650
5-chloro-N-cyclooctylpentanamide
CID 28733608
methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
CID 61460432

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide (CID 43696327) is 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide is CCCS(=O)(=O)N1CCC(NC(=O)CCCCCl)CC1.
What is the InChIKey of 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide?
The InChIKey is MMHQFJINPBXPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O3S/c1-2-11-20(18,19)16-9-6-12(7-10-16)15-13(17)5-3-4-8-14/h12H,2-11H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide?
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide has a molecular weight of 324.87 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 43696327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).