1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine

C15H19N3O2S2 — CID 120763986

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)s1
InChIInChI=1S/C15H19N3O2S2/c1-2-13-5-6-15(21-13)22(19,20)18-9-8-17-11-14(18)12-4-3-7-16-10-12/h3-7,10,14,17H,2,8-9,11H2,1H3
InChIKeyFLOPOSPEVNLPBW-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.04
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine

1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120763986) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120763986
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)s1
InChIInChI=1S/C15H19N3O2S2/c1-2-13-5-6-15(21-13)22(19,20)18-9-8-17-11-14(18)12-4-3-7-16-10-12/h3-7,10,14,17H,2,8-9,11H2,1H3
InChIKeyFLOPOSPEVNLPBW-UHFFFAOYSA-N
XLogP2.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide
CID 120764100
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
1-butylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763713
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994321
1-(4-ethoxy-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764104
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine
CID 120763531
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120876698
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine (CID 120763986) is 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine is CCc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is FLOPOSPEVNLPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-2-13-5-6-15(21-13)22(19,20)18-9-8-17-11-14(18)12-4-3-7-16-10-12/h3-7,10,14,17H,2,8-9,11H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine?
1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 337.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120763986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).