N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide

C15H24N2O4S — CID 110299780

IUPACN-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESO=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccco1
InChIInChI=1S/C15H24N2O4S/c18-15(16-13-14-7-6-11-21-14)8-2-5-12-22(19,20)17-9-3-1-4-10-17/h6-7,11H,1-5,8-10,12-13H2,(H,16,18)
InChIKeyWQCJFIOLDLEBIA-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.88
Rot. Bonds8

About N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide

N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110299780) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110299780
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESO=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccco1
InChIInChI=1S/C15H24N2O4S/c18-15(16-13-14-7-6-11-21-14)8-2-5-12-22(19,20)17-9-3-1-4-10-17/h6-7,11H,1-5,8-10,12-13H2,(H,16,18)
InChIKeyWQCJFIOLDLEBIA-UHFFFAOYSA-N
XLogP1.88
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299788
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299793
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24550982
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285943
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994
6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
CID 647827

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide (CID 110299780) is N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide is O=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is WQCJFIOLDLEBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c18-15(16-13-14-7-6-11-21-14)8-2-5-12-22(19,20)17-9-3-1-4-10-17/h6-7,11H,1-5,8-10,12-13H2,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide?
N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 328.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110299780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).