(4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine

C14H14ClNS — CID 155698372

IUPAC(4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine
SMILESClc1cc2c(s1)CNCC[C@@H]2c1ccccc1
InChIInChI=1S/C14H14ClNS/c15-14-8-12-11(10-4-2-1-3-5-10)6-7-16-9-13(12)17-14/h1-5,8,11,16H,6-7,9H2/t11-/m1/s1
InChIKeyOCSQHZNXBIFILK-LLVKDONJSA-N
MW263.79 g/mol
LogP4.03
Rot. Bonds1

About (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine

(4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine (PubChem CID 155698372) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine.

Molecular Properties

Compound Name(4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine
PubChem CID155698372
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name(4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine
SMILESClc1cc2c(s1)CNCC[C@@H]2c1ccccc1
InChIInChI=1S/C14H14ClNS/c15-14-8-12-11(10-4-2-1-3-5-10)6-7-16-9-13(12)17-14/h1-5,8,11,16H,6-7,9H2/t11-/m1/s1
InChIKeyOCSQHZNXBIFILK-LLVKDONJSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6454012
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CID 3061998
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CID 3062002
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CID 3062045
CID 3062045
CID 6454011
CID 6454011
CID 21936182
CID 21936182
CID 961442
CID 961442
CID 4719380
CID 4719380
CID 14836295
CID 14836295
CID 19826893
CID 19826893
CID 28819318
CID 28819318
CID 11492888
CID 11492888

Frequently Asked Questions

What is the IUPAC name of (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine?
The IUPAC name of (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine (CID 155698372) is (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine.
What is the SMILES notation for (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine?
The canonical SMILES for (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine is Clc1cc2c(s1)CNCC[C@@H]2c1ccccc1.
What is the InChIKey of (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine?
The InChIKey is OCSQHZNXBIFILK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14ClNS/c15-14-8-12-11(10-4-2-1-3-5-10)6-7-16-9-13(12)17-14/h1-5,8,11,16H,6-7,9H2/t11-/m1/s1.
What are the key properties of (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine?
(4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine has a molecular weight of 263.79 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine is sourced from PubChem (CID 155698372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).