3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide

C19H23N3O2S — CID 24937509

IUPAC3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)N(CCC2CCCCN2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C19H23N3O2S/c23-25(24)21(15-13-16-8-6-7-14-20-16)18-11-4-5-12-19(18)22(25)17-9-2-1-3-10-17/h1-5,9-12,16,20H,6-8,13-15H2
InChIKeyGCRBMTXGDUAXCO-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.42
Rot. Bonds4

About 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide

3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 24937509) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID24937509
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)N(CCC2CCCCN2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C19H23N3O2S/c23-25(24)21(15-13-16-8-6-7-14-20-16)18-11-4-5-12-19(18)22(25)17-9-2-1-3-10-17/h1-5,9-12,16,20H,6-8,13-15H2
InChIKeyGCRBMTXGDUAXCO-UHFFFAOYSA-N
XLogP3.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-(3-piperidin-4-ylpropyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;hydrochloride
CID 68707827
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
1-amino-4-(2,2-dioxo-3-phenyl-2λ6,1,3-benzothiadiazol-1-yl)butan-2-ol
CID 143693828
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
CID 84657646
2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 84815558
3-(3-methoxyphenyl)-1-[2-[(2S)-oxiran-2-yl]ethyl]-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 46831084
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one
CID 117030800
2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
CID 117030133
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408872
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 24937509) is 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide is O=S1(=O)N(CCC2CCCCN2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is GCRBMTXGDUAXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-25(24)21(15-13-16-8-6-7-14-20-16)18-11-4-5-12-19(18)22(25)17-9-2-1-3-10-17/h1-5,9-12,16,20H,6-8,13-15H2.
What are the key properties of 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide?
3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 357.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 24937509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).