(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C19H22N2OS2 — CID 24643500

IUPAC(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc2c(c1)SC(C(=O)N1CCN(Cc3ccsc3)CC1)C2
InChIInChI=1S/C19H22N2OS2/c1-14-2-3-16-11-18(24-17(16)10-14)19(22)21-7-5-20(6-8-21)12-15-4-9-23-13-15/h2-4,9-10,13,18H,5-8,11-12H2,1H3
InChIKeyNYGOVRSSVAQDNX-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.42
Rot. Bonds3

About (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 24643500) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID24643500
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC Name(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc2c(c1)SC(C(=O)N1CCN(Cc3ccsc3)CC1)C2
InChIInChI=1S/C19H22N2OS2/c1-14-2-3-16-11-18(24-17(16)10-14)19(22)21-7-5-20(6-8-21)12-15-4-9-23-13-15/h2-4,9-10,13,18H,5-8,11-12H2,1H3
InChIKeyNYGOVRSSVAQDNX-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide
CID 17412335
(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 102778531
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 99807109
(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66008131
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181332
1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]-2-(2,4,6-trimethylphenyl)ethane-1,2-dione
CID 3853424
[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66265218
2,2-dimethyl-1-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)propan-1-one
CID 59630751
[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 47030913
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 24643500) is (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is Cc1ccc2c(c1)SC(C(=O)N1CCN(Cc3ccsc3)CC1)C2.
What is the InChIKey of (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is NYGOVRSSVAQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-14-2-3-16-11-18(24-17(16)10-14)19(22)21-7-5-20(6-8-21)12-15-4-9-23-13-15/h2-4,9-10,13,18H,5-8,11-12H2,1H3.
What are the key properties of (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 358.53 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24643500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).