cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone

C18H23NO4S — CID 131672811

IUPACcyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone
SMILESO=C(C1CC1)N1CC2C(OCc3ccccc3)CCS(=O)(=O)C2C1
InChIInChI=1S/C18H23NO4S/c20-18(14-6-7-14)19-10-15-16(8-9-24(21,22)17(15)11-19)23-12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2
InChIKeyCIARAKSMAUKGMO-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.63
Rot. Bonds4

About cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone

cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone (PubChem CID 131672811) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone
PubChem CID131672811
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Namecyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone
SMILESO=C(C1CC1)N1CC2C(OCc3ccccc3)CCS(=O)(=O)C2C1
InChIInChI=1S/C18H23NO4S/c20-18(14-6-7-14)19-10-15-16(8-9-24(21,22)17(15)11-19)23-12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2
InChIKeyCIARAKSMAUKGMO-UHFFFAOYSA-N
XLogP1.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,1-difluoroethyl)cyclohexyl]-[(3S,5R)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
CID 170319478
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
[(3aR,6aS)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 110126494
[(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone
CID 125236059
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
(1S,6S,7R,8R,8aS)-1,6,7,8-tetrakis(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11124483
(1S,4S,4aS,8aR)-4-phenylmethoxy-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol
CID 101108309
cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
CID 86913113
benzyl (2S,3R,4R)-2-(chloromethyl)-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
CID 102526085
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
CID 175873716

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone?
The IUPAC name of cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone (CID 131672811) is cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone.
What is the SMILES notation for cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone?
The canonical SMILES for cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone is O=C(C1CC1)N1CC2C(OCc3ccccc3)CCS(=O)(=O)C2C1.
What is the InChIKey of cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone?
The InChIKey is CIARAKSMAUKGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c20-18(14-6-7-14)19-10-15-16(8-9-24(21,22)17(15)11-19)23-12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2.
What are the key properties of cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone?
cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone has a molecular weight of 349.45 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1,1-dioxo-4-phenylmethoxy-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-6-yl)methanone is sourced from PubChem (CID 131672811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).