1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine

C16H20N2O2S2 — CID 777589

IUPAC1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-14-2-4-16(5-3-14)22(19,20)18-9-7-17(8-10-18)12-15-6-11-21-13-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyPFCARVIFJNRSDH-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine

1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 777589) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
PubChem CID777589
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-14-2-4-16(5-3-14)22(19,20)18-9-7-17(8-10-18)12-15-6-11-21-13-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyPFCARVIFJNRSDH-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

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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
Methyl[4-(4-phenylpiperidyl)-2-(2-thienyl)butyl](phenylsulfonyl)amine
CID 479876
Methyl[4-(4-phenylpiperidyl)-2-(3-thienyl)butyl](phenylsulfonyl)amine
CID 479877
4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
4-cyano-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519186
N-(2-cyanoethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519191
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine (CID 777589) is 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is PFCARVIFJNRSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-14-2-4-16(5-3-14)22(19,20)18-9-7-17(8-10-18)12-15-6-11-21-13-15/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine?
1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine 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-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 777589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).