1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C19H23NO4S2 — CID 135110541

IUPAC1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C19H23NO4S2/c1-14-3-4-18(16(13-14)23-2)26(21,22)20-9-7-19(8-10-20)15-6-12-25-17(15)5-11-24-19/h3-4,6,12-13H,5,7-11H2,1-2H3
InChIKeyBHSYJMVNFLSKMB-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.32
Rot. Bonds3

About 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 135110541) has the molecular formula C19H23NO4S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID135110541
Molecular FormulaC19H23NO4S2
Molecular Weight393.53 g/mol
Exact Mass393.11
IUPAC Name1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C19H23NO4S2/c1-14-3-4-18(16(13-14)23-2)26(21,22)20-9-7-19(8-10-20)15-6-12-25-17(15)5-11-24-19/h3-4,6,12-13H,5,7-11H2,1-2H3
InChIKeyBHSYJMVNFLSKMB-UHFFFAOYSA-N
XLogP3.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

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Related Compounds

4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 133140359
(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol
CID 72905567
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 135114608
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
(3aR,7aS)-3a-(methoxymethyl)-5-(2-methoxy-4-methylphenyl)sulfonyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124808067
1'-(4-methylphenyl)sulfonylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-carboxylic acid
CID 90864057
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 135094851
N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide
CID 135094445

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 135110541) is 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COc1cc(C)ccc1S(=O)(=O)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is BHSYJMVNFLSKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S2/c1-14-3-4-18(16(13-14)23-2)26(21,22)20-9-7-19(8-10-20)15-6-12-25-17(15)5-11-24-19/h3-4,6,12-13H,5,7-11H2,1-2H3.
What are the key properties of 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 393.53 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 135110541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).