5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one

C15H20N2O2S — CID 134608258

IUPAC5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one
SMILESCC(C)c1scc2c1CN([C@H]1CCCCNC1=O)C2=O
InChIInChI=1S/C15H20N2O2S/c1-9(2)13-10-7-17(15(19)11(10)8-20-13)12-5-3-4-6-16-14(12)18/h8-9,12H,3-7H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyJFLVZHWTPFNZNB-LBPRGKRZSA-N
MW292.40 g/mol
LogP2.50
Rot. Bonds2

About 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one

5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one (PubChem CID 134608258) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one
PubChem CID134608258
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one
SMILESCC(C)c1scc2c1CN([C@H]1CCCCNC1=O)C2=O
InChIInChI=1S/C15H20N2O2S/c1-9(2)13-10-7-17(15(19)11(10)8-20-13)12-5-3-4-6-16-14(12)18/h8-9,12H,3-7H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyJFLVZHWTPFNZNB-LBPRGKRZSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one with MolForge

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Related Compounds

(4S)-4-(6-oxo-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione
CID 147877970
3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608334
(3S)-3-(3-bromo-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608405
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
3-(3,4-dihydro-1H-isoquinolin-2-yl)azepan-2-one
CID 131702103
(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione
CID 147416337
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione
CID 166660984
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide
CID 155761911
[4-[[1-oxo-2-(2-oxoazepan-3-yl)-3H-isoindol-4-yl]oxymethyl]phenyl]methylcarbamic acid
CID 175025203
3-[3-[(4-methylphenoxy)methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 163269119
3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 158559504

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one?
The IUPAC name of 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one (CID 134608258) is 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one.
What is the SMILES notation for 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one?
The canonical SMILES for 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one is CC(C)c1scc2c1CN([C@H]1CCCCNC1=O)C2=O.
What is the InChIKey of 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one?
The InChIKey is JFLVZHWTPFNZNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(2)13-10-7-17(15(19)11(10)8-20-13)12-5-3-4-6-16-14(12)18/h8-9,12H,3-7H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one?
5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one has a molecular weight of 292.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one is sourced from PubChem (CID 134608258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).