(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone

C16H21N3OS — CID 50968436

IUPAC(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCN1CCC2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1
InChIInChI=1S/C16H21N3OS/c1-18-6-3-16(11-18)4-7-19(8-5-16)15(20)13-10-14-12(17-13)2-9-21-14/h2,9-10,17H,3-8,11H2,1H3
InChIKeyBEPVNVWMKPOEBY-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.79
Rot. Bonds1

About (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone

(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 50968436) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID50968436
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCN1CCC2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1
InChIInChI=1S/C16H21N3OS/c1-18-6-3-16(11-18)4-7-19(8-5-16)15(20)13-10-14-12(17-13)2-9-21-14/h2,9-10,17H,3-8,11H2,1H3
InChIKeyBEPVNVWMKPOEBY-UHFFFAOYSA-N
XLogP2.79
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56751168
(1-oxo-1,4-thiazinan-4-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 86807716
6-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyridin-2-one
CID 50951821
(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 95725341
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 133267483
[4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 166221952
[(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95202361
(5R)-7-(cyclopropylmethyl)-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126431174
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
CID 50949896
(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740995
furan-2-yl-[5-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyrrol-3-yl]methanone
CID 166365151
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95195140

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (CID 50968436) is (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is CN1CCC2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1.
What is the InChIKey of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is BEPVNVWMKPOEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-18-6-3-16(11-18)4-7-19(8-5-16)15(20)13-10-14-12(17-13)2-9-21-14/h2,9-10,17H,3-8,11H2,1H3.
What are the key properties of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 303.43 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 50968436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).