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

C15H22N2O2S — CID 44573222

IUPAC7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESO=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCCC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,17-10-2-1-3-11-17)15-5-4-13-6-8-16-9-7-14(13)12-15/h4-5,12,16H,1-3,6-11H2
InChIKeyKLHRBZTXYTYYAK-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.55
Rot. Bonds2

About 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 44573222) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID44573222
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESO=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCCC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,17-10-2-1-3-11-17)15-5-4-13-6-8-16-9-7-14(13)12-15/h4-5,12,16H,1-3,6-11H2
InChIKeyKLHRBZTXYTYYAK-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 44573222) is 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine is O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCCC1.
What is the InChIKey of 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is KLHRBZTXYTYYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,17-10-2-1-3-11-17)15-5-4-13-6-8-16-9-7-14(13)12-15/h4-5,12,16H,1-3,6-11H2.
What are the key properties of 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 294.42 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-ylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 44573222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).