3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine

C15H19N3O3S2 — CID 66583202

IUPAC3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine
SMILESCOc1ncccc1CC1CN(S(=O)(=O)c2cccs2)CCN1
InChIInChI=1S/C15H19N3O3S2/c1-21-15-12(4-2-6-17-15)10-13-11-18(8-7-16-13)23(19,20)14-5-3-9-22-14/h2-6,9,13,16H,7-8,10-11H2,1H3
InChIKeySZJAWYOQXOJFSR-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.36
Rot. Bonds5

About 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine

3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine (PubChem CID 66583202) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine
PubChem CID66583202
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine
SMILESCOc1ncccc1CC1CN(S(=O)(=O)c2cccs2)CCN1
InChIInChI=1S/C15H19N3O3S2/c1-21-15-12(4-2-6-17-15)10-13-11-18(8-7-16-13)23(19,20)14-5-3-9-22-14/h2-6,9,13,16H,7-8,10-11H2,1H3
InChIKeySZJAWYOQXOJFSR-UHFFFAOYSA-N
XLogP1.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methoxy-3-pyridinyl)methyl]-1-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

(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine
CID 70655680
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 70655430
(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 97169349
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
CID 129334414
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100652937
1-methyl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97468890
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine (CID 66583202) is 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine is COc1ncccc1CC1CN(S(=O)(=O)c2cccs2)CCN1.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine?
The InChIKey is SZJAWYOQXOJFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-21-15-12(4-2-6-17-15)10-13-11-18(8-7-16-13)23(19,20)14-5-3-9-22-14/h2-6,9,13,16H,7-8,10-11H2,1H3.
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine?
3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine has a molecular weight of 353.47 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 66583202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).