1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C14H20N2OS — CID 114223364

IUPAC1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCc1ccc(CNC2CC(=O)N3CCCCC23)s1
InChIInChI=1S/C14H20N2OS/c1-10-5-6-11(18-10)9-15-12-8-14(17)16-7-3-2-4-13(12)16/h5-6,12-13,15H,2-4,7-9H2,1H3
InChIKeyIYKPPUGEDJNNBW-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.30
Rot. Bonds3

About 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 114223364) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID114223364
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCc1ccc(CNC2CC(=O)N3CCCCC23)s1
InChIInChI=1S/C14H20N2OS/c1-10-5-6-11(18-10)9-15-12-8-14(17)16-7-3-2-4-13(12)16/h5-6,12-13,15H,2-4,7-9H2,1H3
InChIKeyIYKPPUGEDJNNBW-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
(4R,8aS)-4-thiophen-2-yl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 73354152
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]butanamide
CID 3240734
1,4-Diazabicyclo[3.2.2]nonan-4-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45206646
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 53523931
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 84593876
(3aR,7aR)-4-(2-methoxyethyl)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379226
(3aS,7aS)-1-[(5-methylthiophen-2-yl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460794
(7S,8R,8aS)-N-methyl-7-phenyl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 118738663
N-[(4R,7S,8aS)-1-oxo-4-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide
CID 26762404
3-[(4R,7S,8aS)-1-oxo-7-(thiophen-2-ylmethylamino)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N,N-diethylpropanamide
CID 45360752
5-({(2S)-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-2-yl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201462

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 114223364) is 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is Cc1ccc(CNC2CC(=O)N3CCCCC23)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is IYKPPUGEDJNNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-5-6-11(18-10)9-15-12-8-14(17)16-7-3-2-4-13(12)16/h5-6,12-13,15H,2-4,7-9H2,1H3.
What are the key properties of 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 264.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 114223364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).