[5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate

C14H15N3O5S — CID 134608341

IUPAC[5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate
SMILESNC(=O)OCc1cc2c(s1)C(=O)N(C1CCCC(=O)NC1=O)C2
InChIInChI=1S/C14H15N3O5S/c15-14(21)22-6-8-4-7-5-17(13(20)11(7)23-8)9-2-1-3-10(18)16-12(9)19/h4,9H,1-3,5-6H2,(H2,15,21)(H,16,18,19)
InChIKeyVYRSNTPGPOWFBS-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.49
Rot. Bonds3

About [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate

[5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate (PubChem CID 134608341) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate.

Molecular Properties

Compound Name[5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate
PubChem CID134608341
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name[5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate
SMILESNC(=O)OCc1cc2c(s1)C(=O)N(C1CCCC(=O)NC1=O)C2
InChIInChI=1S/C14H15N3O5S/c15-14(21)22-6-8-4-7-5-17(13(20)11(7)23-8)9-2-1-3-10(18)16-12(9)19/h4,9H,1-3,5-6H2,(H2,15,21)(H,16,18,19)
InChIKeyVYRSNTPGPOWFBS-UHFFFAOYSA-N
XLogP0.49
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-[(4-tert-butylphenoxy)methyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]piperidine-2,6-dione;molecular hydrogen
CID 153374638
1-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]-3-(3-isocyanophenyl)urea
CID 155643575
1-(4-cyanophenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea
CID 155316429
2-(4-tert-butylphenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]-2-oxoacetamide
CID 155316213
1-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]-3-(4-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 155316199
2-(2-chloro-4-methylphenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]-2,2-difluoroacetamide
CID 175231456
[(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate
CID 175127633
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-iodoiodanuidylcarbamate
CID 166074298
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
(3S)-3-[6-[[(1R,2S)-2-aminocyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170412602
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847

Frequently Asked Questions

What is the IUPAC name of [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate?
The IUPAC name of [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate (CID 134608341) is [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate.
What is the SMILES notation for [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate?
The canonical SMILES for [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate is NC(=O)OCc1cc2c(s1)C(=O)N(C1CCCC(=O)NC1=O)C2.
What is the InChIKey of [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate?
The InChIKey is VYRSNTPGPOWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c15-14(21)22-6-8-4-7-5-17(13(20)11(7)23-8)9-2-1-3-10(18)16-12(9)19/h4,9H,1-3,5-6H2,(H2,15,21)(H,16,18,19).
What are the key properties of [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate?
[5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate has a molecular weight of 337.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl carbamate is sourced from PubChem (CID 134608341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).