1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine

C16H20N2O2S2 — CID 6464678

IUPAC1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N2O2S2/c1-14-5-2-3-6-15(14)13-17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h2-7,12H,8-11,13H2,1H3
InChIKeyVYJVMJYIOORTMD-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.56
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine

1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 6464678) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID6464678
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N2O2S2/c1-14-5-2-3-6-15(14)13-17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h2-7,12H,8-11,13H2,1H3
InChIKeyVYJVMJYIOORTMD-UHFFFAOYSA-N
XLogP2.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Methylpropyl)-N-({5-[4-(Methylsulfonyl)phenyl]thiophen-2-Yl}methyl)-1-Phenylmethanesulfonamide
CID 77620538
1-Cinnamyl-4-(thiophen-2-ylsulfonyl)piperazine hydrochloride
CID 6603683
4-Phenyl-1-(3-thienylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 2738369
Methyl[4-(4-phenylpiperidyl)-2-(2-thienyl)butyl](phenylsulfonyl)amine
CID 479876
Methyl[4-(4-phenylpiperidyl)-2-(3-thienyl)butyl](phenylsulfonyl)amine
CID 479877
N-isobutyl-N-[5-(3-methanesulfonyl-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 25234324
N-(2-cyanoethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519191
N-methyl-N-[2-phenyl-4-[4-(3-phenylpropyl)-1-piperidyl]butyl]thiophene-2-sulfonamide
CID 489306
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
4-Benzyl-1-(2-thienylsulfonyl)piperidine
CID 674994
(4-Benzylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanethione
CID 2455027
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine (CID 6464678) is 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine is Cc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is VYJVMJYIOORTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-14-5-2-3-6-15(14)13-17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 336.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6464678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).