7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C16H19N3O2S — CID 56751168

IUPAC7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1=O
InChIInChI=1S/C16H19N3O2S/c1-18-6-2-4-16(15(18)21)5-7-19(10-16)14(20)12-9-13-11(17-12)3-8-22-13/h3,8-9,17H,2,4-7,10H2,1H3
InChIKeyWGEMZJBSTBFATA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.31
Rot. Bonds1

About 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56751168) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56751168
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1=O
InChIInChI=1S/C16H19N3O2S/c1-18-6-2-4-16(15(18)21)5-7-19(10-16)14(20)12-9-13-11(17-12)3-8-22-13/h3,8-9,17H,2,4-7,10H2,1H3
InChIKeyWGEMZJBSTBFATA-UHFFFAOYSA-N
XLogP2.31
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-7-(cyclopropylmethyl)-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126431174
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50968436
(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 95725341
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
[(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95202361
7-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 97132204
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
(5R)-2-(1,3-benzodioxole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 25385054
(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 95189352
(5R)-7-methyl-2-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25481006

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 56751168) is 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1=O.
What is the InChIKey of 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WGEMZJBSTBFATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-18-6-2-4-16(15(18)21)5-7-19(10-16)14(20)12-9-13-11(17-12)3-8-22-13/h3,8-9,17H,2,4-7,10H2,1H3.
What are the key properties of 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 317.41 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56751168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).