2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine

C13H16N2O4S4 — CID 42930811

IUPAC2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)c2cccs2)CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O4S4/c1-11-10-14(22(16,17)12-4-2-8-20-12)6-7-15(11)23(18,19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyKJMBVJLBTZRVEO-UHFFFAOYSA-N
MW392.55 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine

2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine (PubChem CID 42930811) has the molecular formula C13H16N2O4S4 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
PubChem CID42930811
Molecular FormulaC13H16N2O4S4
Molecular Weight392.55 g/mol
Exact Mass392.00
IUPAC Name2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)c2cccs2)CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O4S4/c1-11-10-14(22(16,17)12-4-2-8-20-12)6-7-15(11)23(18,19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyKJMBVJLBTZRVEO-UHFFFAOYSA-N
XLogP1.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine 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

(2R)-2-methyl-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 120717017
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618
2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 4538990
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
1,1,1-trifluoro-2-[4-[(2S)-2-methyl-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 56932932
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
1-thiophen-2-ylsulfonylpiperidine
CID 765823
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The IUPAC name of 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine (CID 42930811) is 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine.
What is the SMILES notation for 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The canonical SMILES for 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine is CC1CN(S(=O)(=O)c2cccs2)CCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The InChIKey is KJMBVJLBTZRVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S4/c1-11-10-14(22(16,17)12-4-2-8-20-12)6-7-15(11)23(18,19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine?
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine has a molecular weight of 392.55 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine is sourced from PubChem (CID 42930811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).