7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C17H23N5O2S — CID 167926768

IUPAC7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESO=S(=O)(c1ccc2c(c1)CCCNC2)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C17H23N5O2S/c23-25(24,17-6-5-15-12-18-7-1-3-14(15)11-17)21-9-2-4-16(13-21)22-10-8-19-20-22/h5-6,8,10-11,16,18H,1-4,7,9,12-13H2
InChIKeyGYTSJLUQLUATDE-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.34
Rot. Bonds3

About 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine

7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 167926768) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID167926768
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESO=S(=O)(c1ccc2c(c1)CCCNC2)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C17H23N5O2S/c23-25(24,17-6-5-15-12-18-7-1-3-14(15)11-17)21-9-2-4-16(13-21)22-10-8-19-20-22/h5-6,8,10-11,16,18H,1-4,7,9,12-13H2
InChIKeyGYTSJLUQLUATDE-UHFFFAOYSA-N
XLogP1.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(triazol-1-yl)pyrrolidin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 121151121
1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121151092
1-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]triazole
CID 121154928
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 99877483
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2,3-dihydro-1H-isoindole
CID 107422312
2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 146092778
5-(azepan-1-ylsulfonyl)-2,3-dihydro-1H-isoindole
CID 107421717
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]triazole
CID 121154938
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341
1-[(3S)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987995
1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151444

Frequently Asked Questions

What is the IUPAC name of 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 167926768) is 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine is O=S(=O)(c1ccc2c(c1)CCCNC2)N1CCCC(n2ccnn2)C1.
What is the InChIKey of 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is GYTSJLUQLUATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c23-25(24,17-6-5-15-12-18-7-1-3-14(15)11-17)21-9-2-4-16(13-21)22-10-8-19-20-22/h5-6,8,10-11,16,18H,1-4,7,9,12-13H2.
What are the key properties of 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 361.47 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 167926768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).