[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C16H18N2O3S2 — CID 4506512

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C16H18N2O3S2/c1-13-7-8-15(22-13)16(19)17-9-11-18(12-10-17)23(20,21)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyDJFFMYDXBCLUEO-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.20
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 4506512) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID4506512
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C16H18N2O3S2/c1-13-7-8-15(22-13)16(19)17-9-11-18(12-10-17)23(20,21)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyDJFFMYDXBCLUEO-UHFFFAOYSA-N
XLogP2.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
Thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4779966
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
[4-(2,4-Dimethylbenzenesulfonyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 1262775
[4-(Phenylsulfonyl)piperazin-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2225531
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-2-yl)-methanone
CID 11631394
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
[4-(Benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 717233

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 4506512) is [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is DJFFMYDXBCLUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-13-7-8-15(22-13)16(19)17-9-11-18(12-10-17)23(20,21)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 4506512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).