1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone

C15H23N3OS — CID 62840325

IUPAC1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone
SMILESCN1CCN(C(=O)CNC2CCCc3sccc32)CC1
InChIInChI=1S/C15H23N3OS/c1-17-6-8-18(9-7-17)15(19)11-16-13-3-2-4-14-12(13)5-10-20-14/h5,10,13,16H,2-4,6-9,11H2,1H3
InChIKeySODLNSVBYHONHW-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.49
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone

1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone (PubChem CID 62840325) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone
PubChem CID62840325
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone
SMILESCN1CCN(C(=O)CNC2CCCc3sccc32)CC1
InChIInChI=1S/C15H23N3OS/c1-17-6-8-18(9-7-17)15(19)11-16-13-3-2-4-14-12(13)5-10-20-14/h5,10,13,16H,2-4,6-9,11H2,1H3
InChIKeySODLNSVBYHONHW-UHFFFAOYSA-N
XLogP1.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone with MolForge

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Related Compounds

methyl 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetate
CID 62840360
N-(3-methylbutan-2-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
CID 62840306
N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
CID 62841242
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840199
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethylurea
CID 83109887
1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one
CID 62841964
N,N-dimethyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
CID 55122297
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
CID 62840901
3-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]pentan-3-ol
CID 65108449
tert-butyl N-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]carbamate
CID 115715340
N-(2-thiomorpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783260

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone (CID 62840325) is 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone is CN1CCN(C(=O)CNC2CCCc3sccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone?
The InChIKey is SODLNSVBYHONHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17-6-8-18(9-7-17)15(19)11-16-13-3-2-4-14-12(13)5-10-20-14/h5,10,13,16H,2-4,6-9,11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone has a molecular weight of 293.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone is sourced from PubChem (CID 62840325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).