[5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone

C16H18N2O3S2 — CID 53124423

IUPAC[5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1
InChIInChI=1S/C16H18N2O3S2/c1-17-9-11-18(12-10-17)16(19)14-7-8-15(22-14)23(20,21)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyNXDSLVFTIPOOGL-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.97
Rot. Bonds3

About [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53124423) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53124423
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC Name[5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1
InChIInChI=1S/C16H18N2O3S2/c1-17-9-11-18(12-10-17)16(19)14-7-8-15(22-14)23(20,21)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyNXDSLVFTIPOOGL-UHFFFAOYSA-N
XLogP1.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53124548
[5-(benzenesulfonyl)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576701
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(benzenesulfonyl)thiophen-2-yl]methanone
CID 119483665
[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 53124466
[5-(benzenesulfonyl)thiophen-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95091593
[3-(1-aminoethyl)piperidin-1-yl]-[5-(benzenesulfonyl)thiophen-2-yl]methanone;hydrochloride
CID 119593130
[5-(4-chlorophenyl)sulfonylthiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53124684
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-(benzenesulfonyl)thiophen-2-yl]methanone
CID 124592514
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
(5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 59599798
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 60721956

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 53124423) is [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1.
What is the InChIKey of [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NXDSLVFTIPOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-17-9-11-18(12-10-17)16(19)14-7-8-15(22-14)23(20,21)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3.
What are the key properties of [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53124423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).