4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide

C18H20N2O4S2 — CID 163309965

IUPAC4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H20N2O4S2/c19-26(22,23)15-3-1-14(2-4-15)17(21)20-9-7-18(8-10-20)16-13(5-11-24-18)6-12-25-16/h1-4,6,12H,5,7-11H2,(H2,19,22,23)
InChIKeyULSYVRKLDCJNFV-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.10
Rot. Bonds2

About 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide

4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide (PubChem CID 163309965) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
PubChem CID163309965
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H20N2O4S2/c19-26(22,23)15-3-1-14(2-4-15)17(21)20-9-7-18(8-10-20)16-13(5-11-24-18)6-12-25-16/h1-4,6,12H,5,7-11H2,(H2,19,22,23)
InChIKeyULSYVRKLDCJNFV-UHFFFAOYSA-N
XLogP2.10
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163306404
[4-(1,3-oxazol-5-yl)phenyl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163318328
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868
(4-methyl-1,3-oxazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163304672
(2,3-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135101219
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163305731
6-ethyl-1,5-dimethyl-3-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 163304951
1-[2-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)phenyl]-1,3-diazinane-2,4-dione
CID 163314677
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135088326
(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135102517
1'-(2-aminopyridine-4-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 166615546

Frequently Asked Questions

What is the IUPAC name of 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide (CID 163309965) is 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1.
What is the InChIKey of 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide?
The InChIKey is ULSYVRKLDCJNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c19-26(22,23)15-3-1-14(2-4-15)17(21)20-9-7-18(8-10-20)16-13(5-11-24-18)6-12-25-16/h1-4,6,12H,5,7-11H2,(H2,19,22,23).
What are the key properties of 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide?
4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide is sourced from PubChem (CID 163309965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).