8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one

C18H21N3O2S — CID 97449913

IUPAC8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccsc1)C2=O
InChIInChI=1S/C18H21N3O2S/c1-19-8-2-3-15(19)16(22)20-9-5-18(6-10-20)7-11-21(17(18)23)14-4-12-24-13-14/h2-4,8,12-13H,5-7,9-11H2,1H3
InChIKeyKBRARSAFASQWHL-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.75
Rot. Bonds2

About 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one

8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449913) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449913
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccsc1)C2=O
InChIInChI=1S/C18H21N3O2S/c1-19-8-2-3-15(19)16(22)20-9-5-18(6-10-20)7-11-21(17(18)23)14-4-12-24-13-14/h2-4,8,12-13H,5-7,9-11H2,1H3
InChIKeyKBRARSAFASQWHL-UHFFFAOYSA-N
XLogP2.75
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97395746
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 131690193
2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 131680313
9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155866496
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090
1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 118738782
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812
7-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155827489
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112763018

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one (CID 97449913) is 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one is Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccsc1)C2=O.
What is the InChIKey of 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KBRARSAFASQWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-19-8-2-3-15(19)16(22)20-9-5-18(6-10-20)7-11-21(17(18)23)14-4-12-24-13-14/h2-4,8,12-13H,5-7,9-11H2,1H3.
What are the key properties of 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one?
8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 343.45 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).