N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide

C16H25N3O4S — CID 131927041

IUPACN-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
SMILESO=C(c1ccco1)N1CCCC(NS(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C16H25N3O4S/c20-16(15-8-6-12-23-15)18-9-5-7-14(13-18)17-24(21,22)19-10-3-1-2-4-11-19/h6,8,12,14,17H,1-5,7,9-11,13H2
InChIKeyLUDKZYSQVLJXOK-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.59
Rot. Bonds4

About N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide

N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide (PubChem CID 131927041) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
PubChem CID131927041
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
SMILESO=C(c1ccco1)N1CCCC(NS(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C16H25N3O4S/c20-16(15-8-6-12-23-15)18-9-5-7-14(13-18)17-24(21,22)19-10-3-1-2-4-11-19/h6,8,12,14,17H,1-5,7,9-11,13H2
InChIKeyLUDKZYSQVLJXOK-UHFFFAOYSA-N
XLogP1.59
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-(2,4-difluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 131914213
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide (CID 131927041) is N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide is O=C(c1ccco1)N1CCCC(NS(=O)(=O)N2CCCCCC2)C1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide?
The InChIKey is LUDKZYSQVLJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c20-16(15-8-6-12-23-15)18-9-5-7-14(13-18)17-24(21,22)19-10-3-1-2-4-11-19/h6,8,12,14,17H,1-5,7,9-11,13H2.
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide?
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide is sourced from PubChem (CID 131927041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).