2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine

C15H22N2O2S — CID 63153494

IUPAC2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
SMILESO=S(=O)(C1CCNCC1)N1CCCc2ccccc2C1
InChIInChI=1S/C15H22N2O2S/c18-20(19,15-7-9-16-10-8-15)17-11-3-6-13-4-1-2-5-14(13)12-17/h1-2,4-5,15-16H,3,6-12H2
InChIKeyGRYIPNMSGQSRBX-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.52
Rot. Bonds2

About 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine

2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 63153494) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID63153494
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
SMILESO=S(=O)(C1CCNCC1)N1CCCc2ccccc2C1
InChIInChI=1S/C15H22N2O2S/c18-20(19,15-7-9-16-10-8-15)17-11-3-6-13-4-1-2-5-14(13)12-17/h1-2,4-5,15-16H,3,6-12H2
InChIKeyGRYIPNMSGQSRBX-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole
CID 62230335
2-pyrrolidin-3-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 65419388
2-cyclopropylsulfonyl-1,3-dihydroisoindole
CID 122244979
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol
CID 81233802
N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 63298216
2-(4-bromophenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 63158077
N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 119993621
2-piperidin-4-ylsulfanyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 114627520
1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine
CID 62536947
2-(2-piperazin-1-ylethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 55166762
1-piperazin-1-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethane-1,2-dione
CID 63153451
(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine
CID 102977640

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine (CID 63153494) is 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine is O=S(=O)(C1CCNCC1)N1CCCc2ccccc2C1.
What is the InChIKey of 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is GRYIPNMSGQSRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,15-7-9-16-10-8-15)17-11-3-6-13-4-1-2-5-14(13)12-17/h1-2,4-5,15-16H,3,6-12H2.
What are the key properties of 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine?
2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 294.42 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 63153494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).