N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide

C20H24N2O4S2 — CID 170505071

IUPACN-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC2(CC1)OCCc1sc(-c3ccccc3)cc12
InChIInChI=1S/C20H24N2O4S2/c1-28(24,25)21-14-19(23)22-10-8-20(9-11-22)16-13-18(15-5-3-2-4-6-15)27-17(16)7-12-26-20/h2-6,13,21H,7-12,14H2,1H3
InChIKeyLPPYQFJNTZJFRC-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.35
Rot. Bonds4

About N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide

N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide (PubChem CID 170505071) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide
PubChem CID170505071
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC2(CC1)OCCc1sc(-c3ccccc3)cc12
InChIInChI=1S/C20H24N2O4S2/c1-28(24,25)21-14-19(23)22-10-8-20(9-11-22)16-13-18(15-5-3-2-4-6-15)27-17(16)7-12-26-20/h2-6,13,21H,7-12,14H2,1H3
InChIKeyLPPYQFJNTZJFRC-UHFFFAOYSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclopropyl)-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170512831
(2S)-2-(methylamino)-1-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propan-1-one;hydrochloride
CID 171710739
(1-hydroxycyclopentyl)-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170509649
[3-(hydroxymethyl)azetidin-3-yl]-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170508387
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propan-1-one;dihydrochloride
CID 171708212
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone;hydrochloride
CID 171710143
(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 170510060
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone
CID 170511659
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 170507893
3-[2-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 170513315
1'-(3-phenoxypropanoyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164691144
(1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone
CID 170504355

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide (CID 170505071) is N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCC2(CC1)OCCc1sc(-c3ccccc3)cc12.
What is the InChIKey of N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide?
The InChIKey is LPPYQFJNTZJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-28(24,25)21-14-19(23)22-10-8-20(9-11-22)16-13-18(15-5-3-2-4-6-15)27-17(16)7-12-26-20/h2-6,13,21H,7-12,14H2,1H3.
What are the key properties of N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide?
N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide has a molecular weight of 420.56 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 170505071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).